(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine

C16H18ClNO — CID 105006817

IUPAC(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C16H18ClNO/c1-10-4-5-12(8-11(10)2)16(18)13-6-7-14(17)15(9-13)19-3/h4-9,16H,18H2,1-3H3
InChIKeyKDRQEFYVDDHVEH-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.01
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine

(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine (PubChem CID 105006817) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
PubChem CID105006817
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C16H18ClNO/c1-10-4-5-12(8-11(10)2)16(18)13-6-7-14(17)15(9-13)19-3/h4-9,16H,18H2,1-3H3
InChIKeyKDRQEFYVDDHVEH-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.01
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)-(3,5-dichlorophenyl)methanamine
CID 105007027
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873
(4-tert-butylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105007084
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
[(4-chloro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258314
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine (CID 105006817) is (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine is COc1cc(C(N)c2ccc(C)c(C)c2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine?
The InChIKey is KDRQEFYVDDHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-4-5-12(8-11(10)2)16(18)13-6-7-14(17)15(9-13)19-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine?
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine has a molecular weight of 275.78 g/mol, XLogP of 4.01, 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)-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 105006817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).