(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine

C16H17Br2N — CID 81353910

IUPAC(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17Br2N/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m0/s1
InChIKeyNXAJYBHFDDWJSW-PXYINDEMSA-N
MW383.13 g/mol
LogP5.62
Rot. Bonds4

About (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine

(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine (PubChem CID 81353910) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
PubChem CID81353910
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17Br2N/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m0/s1
InChIKeyNXAJYBHFDDWJSW-PXYINDEMSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
4-[1-[[(1S)-1-(4-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81359050
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81356704
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81360088
N-[(1S)-1-(4-bromophenyl)ethyl]-1,1-dimethoxypropan-2-amine
CID 81360171
N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 61468699

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine (CID 81353910) is (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine is CC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine?
The InChIKey is NXAJYBHFDDWJSW-PXYINDEMSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine?
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine has a molecular weight of 383.13 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine is sourced from PubChem (CID 81353910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).