(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine

C17H20BrN — CID 78921805

IUPAC(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(C)c(CN[C@H](C)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN/c1-12-4-5-13(2)16(10-12)11-19-14(3)15-6-8-17(18)9-7-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyDAMLFGFHOYGJPV-CQSZACIVSA-N
MW318.26 g/mol
LogP4.92
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine (PubChem CID 78921805) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
PubChem CID78921805
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(C)c(CN[C@H](C)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN/c1-12-4-5-13(2)16(10-12)11-19-14(3)15-6-8-17(18)9-7-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyDAMLFGFHOYGJPV-CQSZACIVSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349676
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60945297
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 54957738
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
4-bromo-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 83187879

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine (CID 78921805) is (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine is Cc1ccc(C)c(CN[C@H](C)c2ccc(Br)cc2)c1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is DAMLFGFHOYGJPV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-4-5-13(2)16(10-12)11-19-14(3)15-6-8-17(18)9-7-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 78921805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).