[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine

C14H13Cl2NO — CID 114076769

IUPAC[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
SMILESCOc1cc(-c2ccc(CN)cc2Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-18-14-7-10(3-5-12(14)15)11-4-2-9(8-17)6-13(11)16/h2-7H,8,17H2,1H3
InChIKeyHLVIXQKQSCVVEA-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.13
Rot. Bonds3

About [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine

[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine (PubChem CID 114076769) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
PubChem CID114076769
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
SMILESCOc1cc(-c2ccc(CN)cc2Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO/c1-18-14-7-10(3-5-12(14)15)11-4-2-9(8-17)6-13(11)16/h2-7H,8,17H2,1H3
InChIKeyHLVIXQKQSCVVEA-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
1-[3-(4-chloro-3-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105409070
4-(4-chloro-3-methoxyphenyl)-3-fluoroaniline
CID 79711769
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine (CID 114076769) is [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine is COc1cc(-c2ccc(CN)cc2Cl)ccc1Cl.
What is the InChIKey of [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine?
The InChIKey is HLVIXQKQSCVVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-18-14-7-10(3-5-12(14)15)11-4-2-9(8-17)6-13(11)16/h2-7H,8,17H2,1H3.
What are the key properties of [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine?
[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine has a molecular weight of 282.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine is sourced from PubChem (CID 114076769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).