2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile

C11H14N2 — CID 130742207

IUPAC2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile
SMILESCN[C@@H](C)c1cccc(CC#N)c1
InChIInChI=1S/C11H14N2/c1-9(13-2)11-5-3-4-10(8-11)6-7-12/h3-5,8-9,13H,6H2,1-2H3/t9-/m0/s1
InChIKeyRFZADPTUVKXQPJ-VIFPVBQESA-N
MW174.25 g/mol
LogP2.03
Rot. Bonds3

About 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile

2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile (PubChem CID 130742207) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile
PubChem CID130742207
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile
SMILESCN[C@@H](C)c1cccc(CC#N)c1
InChIInChI=1S/C11H14N2/c1-9(13-2)11-5-3-4-10(8-11)6-7-12/h3-5,8-9,13H,6H2,1-2H3/t9-/m0/s1
InChIKeyRFZADPTUVKXQPJ-VIFPVBQESA-N
XLogP2.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-fluoroethyl)phenyl]acetonitrile
CID 84764629
2-[3-[(1R)-1-amino-2-methylpropyl]phenyl]acetonitrile
CID 55275678
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
CID 59900479
3-amino-3-[3-(cyanomethyl)phenyl]propanenitrile
CID 55272972
5-[3-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54965992
N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine
CID 123206397
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
2-amino-2-[3-(cyanomethyl)phenyl]acetic acid
CID 55272287
2-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutanenitrile
CID 64666313
2-[3-[[(2S)-2-hydroxypropyl]amino]phenyl]acetonitrile
CID 126987104

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile?
The IUPAC name of 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile (CID 130742207) is 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile?
The canonical SMILES for 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile is CN[C@@H](C)c1cccc(CC#N)c1.
What is the InChIKey of 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile?
The InChIKey is RFZADPTUVKXQPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2/c1-9(13-2)11-5-3-4-10(8-11)6-7-12/h3-5,8-9,13H,6H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile?
2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile is sourced from PubChem (CID 130742207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).