1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine

C16H18BrN — CID 43181981

IUPAC1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN/c1-12-4-3-5-14(10-12)11-18-13(2)15-6-8-16(17)9-7-15/h3-10,13,18H,11H2,1-2H3
InChIKeyBTVFJXACBIIKOB-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.61
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine

1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 43181981) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID43181981
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN/c1-12-4-3-5-14(10-12)11-18-13(2)15-6-8-16(17)9-7-15/h3-10,13,18H,11H2,1-2H3
InChIKeyBTVFJXACBIIKOB-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
CID 103729618
1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79979302
(1R)-1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81354119
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102794730
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine (CID 43181981) is 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is BTVFJXACBIIKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-4-3-5-14(10-12)11-18-13(2)15-6-8-16(17)9-7-15/h3-10,13,18H,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43181981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).