(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile

C16H15BrN2 — CID 10545906

IUPAC(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile
SMILESC[C@H](N[C@@H](C#N)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrN2/c1-12(13-7-3-2-4-8-13)19-16(11-18)14-9-5-6-10-15(14)17/h2-10,12,16,19H,1H3/t12-,16-/m0/s1
InChIKeyZLOWRRUSDJVYKF-LRDDRELGSA-N
MW315.21 g/mol
LogP4.36
Rot. Bonds4

About (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile

(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile (PubChem CID 10545906) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile
PubChem CID10545906
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile
SMILESC[C@H](N[C@@H](C#N)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrN2/c1-12(13-7-3-2-4-8-13)19-16(11-18)14-9-5-6-10-15(14)17/h2-10,12,16,19H,1H3/t12-,16-/m0/s1
InChIKeyZLOWRRUSDJVYKF-LRDDRELGSA-N
XLogP4.36
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151503
2-(3-ethoxy-2-hydroxyphenyl)-2-(1-phenylethylamino)acetonitrile
CID 84817244
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383697
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81383104
(2S)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-(2-methylphenyl)acetonitrile;hydrochloride
CID 53467449
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383503
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383830
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
3-phenyl-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 11265207
3-phenyl-2-[[(1R)-1-phenylethyl]amino]propanenitrile
CID 11747074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile?
The IUPAC name of (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile (CID 10545906) is (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile.
What is the SMILES notation for (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile?
The canonical SMILES for (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile is C[C@H](N[C@@H](C#N)c1ccccc1Br)c1ccccc1.
What is the InChIKey of (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile?
The InChIKey is ZLOWRRUSDJVYKF-LRDDRELGSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-12(13-7-3-2-4-8-13)19-16(11-18)14-9-5-6-10-15(14)17/h2-10,12,16,19H,1H3/t12-,16-/m0/s1.
What are the key properties of (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile?
(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile has a molecular weight of 315.21 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile is sourced from PubChem (CID 10545906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).