(2S)-2-(methylamino)-2-phenylacetonitrile

C9H10N2 — CID 28518542

IUPAC(2S)-2-(methylamino)-2-phenylacetonitrile
SMILESCN[C@H](C#N)c1ccccc1
InChIInChI=1S/C9H10N2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,1H3/t9-/m1/s1
InChIKeyDBCQXQGNNZDYMQ-SECBINFHSA-N
MW146.19 g/mol
LogP1.47
Rot. Bonds2

About (2S)-2-(methylamino)-2-phenylacetonitrile

(2S)-2-(methylamino)-2-phenylacetonitrile (PubChem CID 28518542) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-2-(methylamino)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-(methylamino)-2-phenylacetonitrile
PubChem CID28518542
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(2S)-2-(methylamino)-2-phenylacetonitrile
SMILESCN[C@H](C#N)c1ccccc1
InChIInChI=1S/C9H10N2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,1H3/t9-/m1/s1
InChIKeyDBCQXQGNNZDYMQ-SECBINFHSA-N
XLogP1.47
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzaldehyde;2-(methylamino)-2-phenylacetonitrile
CID 159320881
2-(4-iodophenyl)-2-(methylamino)acetonitrile
CID 130518215
2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
CID 91664037
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
(1S)-N-methyl-1-phenylprop-2-yn-1-amine
CID 142199409
2-(3-bromophenyl)-2-(methylamino)acetonitrile
CID 43114986
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
N-[cyano(phenyl)methyl]methanesulfinamide
CID 118587949
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[(R)-cyano(phenyl)methyl]formamide
CID 124506791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-2-phenylacetonitrile?
The IUPAC name of (2S)-2-(methylamino)-2-phenylacetonitrile (CID 28518542) is (2S)-2-(methylamino)-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-(methylamino)-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-(methylamino)-2-phenylacetonitrile is CN[C@H](C#N)c1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-2-phenylacetonitrile?
The InChIKey is DBCQXQGNNZDYMQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9,11H,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-(methylamino)-2-phenylacetonitrile?
(2S)-2-(methylamino)-2-phenylacetonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-2-phenylacetonitrile is sourced from PubChem (CID 28518542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).