1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine

C17H20BrN — CID 81373795

IUPAC1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1[C@@H](C)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN/c1-12-6-4-5-7-17(12)14(3)19-13(2)15-8-10-16(18)11-9-15/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1
InChIKeyQKLWRGHVLNDPFD-ARLHGKGLSA-N
MW318.26 g/mol
LogP5.17
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine

1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine (PubChem CID 81373795) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
PubChem CID81373795
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1[C@@H](C)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN/c1-12-6-4-5-7-17(12)14(3)19-13(2)15-8-10-16(18)11-9-15/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1
InChIKeyQKLWRGHVLNDPFD-ARLHGKGLSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81373534
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706906
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 97246942

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine (CID 81373795) is 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine is Cc1ccccc1[C@@H](C)NC(C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is QKLWRGHVLNDPFD-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-6-4-5-7-17(12)14(3)19-13(2)15-8-10-16(18)11-9-15/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1.
What are the key properties of 1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine?
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 318.26 g/mol, XLogP of 5.17, 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-[(1R)-1-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81373795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).