(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine

C15H15Cl2NO — CID 55162756

IUPAC(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-9-3-4-10(7-12(9)16)15(18)11-5-6-14(19-2)13(17)8-11/h3-8,15H,18H2,1-2H3
InChIKeyGIZDUMALVZJMNB-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.36
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine

(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine (PubChem CID 55162756) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
PubChem CID55162756
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-9-3-4-10(7-12(9)16)15(18)11-5-6-14(19-2)13(17)8-11/h3-8,15H,18H2,1-2H3
InChIKeyGIZDUMALVZJMNB-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464562
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene
CID 63439339
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680831

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine (CID 55162756) is (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine is COc1ccc(C(N)c2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
The InChIKey is GIZDUMALVZJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-3-4-10(7-12(9)16)15(18)11-5-6-14(19-2)13(17)8-11/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine?
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine has a molecular weight of 296.20 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 55162756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).