(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine

C14H12Cl3NO — CID 105007027

IUPAC(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-19-13-6-8(2-3-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14H,18H2,1H3
InChIKeyILKWEAXIQBZYJK-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.70
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine

(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine (PubChem CID 105007027) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
PubChem CID105007027
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
SMILESCOc1cc(C(N)c2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-19-13-6-8(2-3-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14H,18H2,1H3
InChIKeyILKWEAXIQBZYJK-UHFFFAOYSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(4-tert-butylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105007084
(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107945621
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
1-(4-chloro-3-methoxyphenyl)-2,2-dimethoxyethanamine
CID 79698300
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(4-chloro-3-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103373770
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(1S)-1-(4-chloro-3-methoxyphenyl)prop-2-en-1-amine
CID 55270647

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine (CID 105007027) is (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine is COc1cc(C(N)c2cc(Cl)cc(Cl)c2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine?
The InChIKey is ILKWEAXIQBZYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-19-13-6-8(2-3-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14H,18H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine?
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine has a molecular weight of 316.62 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine is sourced from PubChem (CID 105007027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).