(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine

C16H17Cl2NO — CID 106680831

IUPAC(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-9-6-10(2)15(14(7-9)20-3)16(19)11-4-5-12(17)13(18)8-11/h4-8,16H,19H2,1-3H3
InChIKeyFJAVZMQQXADWLW-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.67
Rot. Bonds3

About (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine

(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine (PubChem CID 106680831) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
PubChem CID106680831
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-9-6-10(2)15(14(7-9)20-3)16(19)11-4-5-12(17)13(18)8-11/h4-8,16H,19H2,1-3H3
InChIKeyFJAVZMQQXADWLW-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
CID 106680388
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 106682403
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
(2-methoxy-4,6-dimethylphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 106680561
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 79699404

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine (CID 106680831) is (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine is COc1cc(C)cc(C)c1C(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The InChIKey is FJAVZMQQXADWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-9-6-10(2)15(14(7-9)20-3)16(19)11-4-5-12(17)13(18)8-11/h4-8,16H,19H2,1-3H3.
What are the key properties of (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine has a molecular weight of 310.22 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106680831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).