(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine

C18H21ClFN — CID 66258008

IUPAC(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1ccc(C(N)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C18H21ClFN/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-11-14(19)9-10-16(15)20/h5-11,17H,4,21H2,1-3H3
InChIKeyRMDRGOGOIQYTLF-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.21
Rot. Bonds4

About (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine

(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine (PubChem CID 66258008) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
PubChem CID66258008
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1ccc(C(N)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C18H21ClFN/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-11-14(19)9-10-16(15)20/h5-11,17H,4,21H2,1-3H3
InChIKeyRMDRGOGOIQYTLF-UHFFFAOYSA-N
XLogP5.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66259744
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(5-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120935
2-bromo-1-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-4-chlorobenzene
CID 107991967
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2,4-difluorobenzene
CID 66260161
[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
CID 66258782
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine (CID 66258008) is (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine is CCC(C)(C)c1ccc(C(N)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The InChIKey is RMDRGOGOIQYTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-4-18(2,3)13-7-5-12(6-8-13)17(21)15-11-14(19)9-10-16(15)20/h5-11,17H,4,21H2,1-3H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine has a molecular weight of 305.82 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 66258008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).