2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile

C11H13BrN2 — CID 43151503

IUPAC2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)c1ccccc1Br
InChIInChI=1S/C11H13BrN2/c1-8(2)14-11(7-13)9-5-3-4-6-10(9)12/h3-6,8,11,14H,1-2H3
InChIKeyFTHNWURHWYUZKU-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile

2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile (PubChem CID 43151503) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile
PubChem CID43151503
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile
SMILESCC(C)NC(C#N)c1ccccc1Br
InChIInChI=1S/C11H13BrN2/c1-8(2)14-11(7-13)9-5-3-4-6-10(9)12/h3-6,8,11,14H,1-2H3
InChIKeyFTHNWURHWYUZKU-UHFFFAOYSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile
CID 10545906
2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
CID 61002469
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383503
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanenitrile
CID 81383830
2-(2-bromophenyl)-2-methoxyacetonitrile
CID 66070289
2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151527
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile
CID 81383586
2-[(2-bromophenyl)-(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913837
methyl (2S)-2-(2-bromophenyl)-2-cyanoacetate
CID 97049195
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile?
The IUPAC name of 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile (CID 43151503) is 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile?
The canonical SMILES for 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile is CC(C)NC(C#N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile?
The InChIKey is FTHNWURHWYUZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-8(2)14-11(7-13)9-5-3-4-6-10(9)12/h3-6,8,11,14H,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile?
2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile has a molecular weight of 253.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(propan-2-ylamino)acetonitrile is sourced from PubChem (CID 43151503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).