(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine

C16H18BrNO — CID 81472440

IUPAC(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)c(Br)c2)c(C)c1
InChIInChI=1S/C16H18BrNO/c1-10-4-5-12(9-15(10)17)16(18)14-7-6-13(19-3)8-11(14)2/h4-9,16H,18H2,1-3H3
InChIKeyKKEXPLWFQMBIIF-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.12
Rot. Bonds3

About (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine

(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine (PubChem CID 81472440) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
PubChem CID81472440
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)c(Br)c2)c(C)c1
InChIInChI=1S/C16H18BrNO/c1-10-4-5-12(9-15(10)17)16(18)14-7-6-13(19-3)8-11(14)2/h4-9,16H,18H2,1-3H3
InChIKeyKKEXPLWFQMBIIF-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[bromo-(3-bromo-4-methylphenyl)methyl]-4-methoxybenzene
CID 81476572
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 43464453
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine (CID 81472440) is (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine is COc1ccc(C(N)c2ccc(C)c(Br)c2)c(C)c1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine?
The InChIKey is KKEXPLWFQMBIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-10-4-5-12(9-15(10)17)16(18)14-7-6-13(19-3)8-11(14)2/h4-9,16H,18H2,1-3H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine?
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine has a molecular weight of 320.23 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 81472440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).