N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine

C16H18BrN — CID 81471923

IUPACN-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H18BrN/c1-3-18-16(13-7-5-4-6-8-13)14-10-9-12(2)15(17)11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyDUKRLHONVNIUHX-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.46
Rot. Bonds4

About N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine

N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine (PubChem CID 81471923) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
PubChem CID81471923
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H18BrN/c1-3-18-16(13-7-5-4-6-8-13)14-10-9-12(2)15(17)11-14/h4-11,16,18H,3H2,1-2H3
InChIKeyDUKRLHONVNIUHX-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243
N-[(3-bromo-4-chlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 115567471
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115857967
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-benzhydrylethanamine;ethane
CID 142974710
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 81472376
N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 115567422
N-[(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105397062
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(3-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 81457977
N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine
CID 81471848

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine (CID 81471923) is N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1ccc(C)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine?
The InChIKey is DUKRLHONVNIUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-3-18-16(13-7-5-4-6-8-13)14-10-9-12(2)15(17)11-14/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine?
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 81471923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).