1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine

C16H18BrN — CID 54984173

IUPAC1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
SMILESCc1cc(C)cc(CNCc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrN/c1-12-6-13(2)8-15(7-12)11-18-10-14-4-3-5-16(17)9-14/h3-9,18H,10-11H2,1-2H3
InChIKeyXUYSYMCPKDKBLK-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.36
Rot. Bonds4

About 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine

1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine (PubChem CID 54984173) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
PubChem CID54984173
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
SMILESCc1cc(C)cc(CNCc2cccc(Br)c2)c1
InChIInChI=1S/C16H18BrN/c1-12-6-13(2)8-15(7-12)11-18-10-14-4-3-5-16(17)9-14/h3-9,18H,10-11H2,1-2H3
InChIKeyXUYSYMCPKDKBLK-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645
N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
(E)-N-[(3-bromophenyl)methyl]but-2-en-1-amine
CID 107898843
N'-[(3-bromophenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201979
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
1-(3-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63280012
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
N-[(3-bromophenyl)methyl]prop-2-en-1-amine
CID 4717920

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine (CID 54984173) is 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine is Cc1cc(C)cc(CNCc2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine?
The InChIKey is XUYSYMCPKDKBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-6-13(2)8-15(7-12)11-18-10-14-4-3-5-16(17)9-14/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine?
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine has a molecular weight of 304.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 54984173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).