(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C16H17BrClNO — CID 103435334

IUPAC(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2ccc(Br)cc2Cl)ccc(C)c1C
InChIInChI=1S/C16H17BrClNO/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15H,19H2,1-3H3
InChIKeyLDXGNRDOFXZCNV-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.78
Rot. Bonds3

About (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103435334) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103435334
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)c2ccc(Br)cc2Cl)ccc(C)c1C
InChIInChI=1S/C16H17BrClNO/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15H,19H2,1-3H3
InChIKeyLDXGNRDOFXZCNV-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950937
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103435334) is (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is COc1c(C(N)c2ccc(Br)cc2Cl)ccc(C)c1C.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is LDXGNRDOFXZCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-9-4-6-13(16(20-3)10(9)2)15(19)12-7-5-11(17)8-14(12)18/h4-8,15H,19H2,1-3H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine has a molecular weight of 354.68 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103435334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).