(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine

C61H74Cl3F5N8O2 — CID 162115826

IUPAC(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OC.Cc1cccc(CN)c1.Cc1ccccc1CN.NCc1ccc(Cl)c(Cl)c1.NCc1ccc(Cl)cc1.NCc1ccc(F)cc1.NCc1cccc(C(F)(F)F)c1.NCc1cccc(F)c1
InChIInChI=1S/C9H13NO2.C8H8F3N.2C8H11N.C7H7Cl2N.C7H8ClN.2C7H8FN/c1-11-8-4-3-7(6-10)5-9(8)12-2;9-8(10,11)7-3-1-2-6(4-7)5-12;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;8-6-2-1-5(4-10)3-7(6)9;2*8-7-3-1-6(5-9)2-4-7;8-7-3-1-2-6(4-7)5-9/h3-5H,6,10H2,1-2H3;1-4H,5,12H2;2*2-5H,6,9H2,1H3;1-3H,4,10H2;3*1-4H,5,9H2
InChIKeyZGTBAYOUVWILRE-UHFFFAOYSA-N
MW1152.67 g/mol
LogP13.05
Rot. Bonds10

About (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine

(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 162115826) has the molecular formula C61H74Cl3F5N8O2 and a molecular weight of 1152.67 g/mol. Its IUPAC name is (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine
PubChem CID162115826
Molecular FormulaC61H74Cl3F5N8O2
Molecular Weight1152.67 g/mol
Exact Mass1150.49
IUPAC Name(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OC.Cc1cccc(CN)c1.Cc1ccccc1CN.NCc1ccc(Cl)c(Cl)c1.NCc1ccc(Cl)cc1.NCc1ccc(F)cc1.NCc1cccc(C(F)(F)F)c1.NCc1cccc(F)c1
InChIInChI=1S/C9H13NO2.C8H8F3N.2C8H11N.C7H7Cl2N.C7H8ClN.2C7H8FN/c1-11-8-4-3-7(6-10)5-9(8)12-2;9-8(10,11)7-3-1-2-6(4-7)5-12;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;8-6-2-1-5(4-10)3-7(6)9;2*8-7-3-1-6(5-9)2-4-7;8-7-3-1-2-6(4-7)5-9/h3-5H,6,10H2,1-2H3;1-4H,5,12H2;2*2-5H,6,9H2,1H3;1-3H,4,10H2;3*1-4H,5,9H2
InChIKeyZGTBAYOUVWILRE-UHFFFAOYSA-N
XLogP13.05
TPSA226.62 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.67
LogP ≤ 513.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol
CID 157148610
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine
CID 159285035
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
bromobenzene;chlorobenzene;1,3-difluorobenzene;1,4-difluorobenzene;ethane;fluorobenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;toluene;trifluoromethylbenzene;1,4-xylene
CID 160745721
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine (CID 162115826) is (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine is COc1ccc(CN)cc1OC.Cc1cccc(CN)c1.Cc1ccccc1CN.NCc1ccc(Cl)c(Cl)c1.NCc1ccc(Cl)cc1.NCc1ccc(F)cc1.NCc1cccc(C(F)(F)F)c1.NCc1cccc(F)c1.
What is the InChIKey of (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZGTBAYOUVWILRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C8H8F3N.2C8H11N.C7H7Cl2N.C7H8ClN.2C7H8FN/c1-11-8-4-3-7(6-10)5-9(8)12-2;9-8(10,11)7-3-1-2-6(4-7)5-12;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;8-6-2-1-5(4-10)3-7(6)9;2*8-7-3-1-6(5-9)2-4-7;8-7-3-1-2-6(4-7)5-9/h3-5H,6,10H2,1-2H3;1-4H,5,12H2;2*2-5H,6,9H2,1H3;1-3H,4,10H2;3*1-4H,5,9H2.
What are the key properties of (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine?
(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 1152.67 g/mol, XLogP of 13.05, 10 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 162115826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).