2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile

C11H14N2O — CID 130639969

IUPAC2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile
SMILESC[C@@H](O)[C@H](N)c1ccccc1CC#N
InChIInChI=1S/C11H14N2O/c1-8(14)11(13)10-5-3-2-4-9(10)6-7-12/h2-5,8,11,14H,6,13H2,1H3/t8-,11+/m1/s1
InChIKeyLEFUTMWGKVJZST-KCJUWKMLSA-N
MW190.25 g/mol
LogP1.13
Rot. Bonds3

About 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile

2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile (PubChem CID 130639969) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile
PubChem CID130639969
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile
SMILESC[C@@H](O)[C@H](N)c1ccccc1CC#N
InChIInChI=1S/C11H14N2O/c1-8(14)11(13)10-5-3-2-4-9(10)6-7-12/h2-5,8,11,14H,6,13H2,1H3/t8-,11+/m1/s1
InChIKeyLEFUTMWGKVJZST-KCJUWKMLSA-N
XLogP1.13
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
2-(1-amino-2-hydroxypropyl)benzonitrile
CID 55294755
2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
CID 55272286
2-[2-(1-amino-3-hydroxypropyl)phenyl]acetonitrile
CID 55273402
2-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267325
2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile
CID 55283390
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
3-(1-amino-2-hydroxypropyl)-2-hydroxybenzonitrile
CID 130001192
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile?
The IUPAC name of 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile (CID 130639969) is 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile is C[C@@H](O)[C@H](N)c1ccccc1CC#N.
What is the InChIKey of 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile?
The InChIKey is LEFUTMWGKVJZST-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(14)11(13)10-5-3-2-4-9(10)6-7-12/h2-5,8,11,14H,6,13H2,1H3/t8-,11+/m1/s1.
What are the key properties of 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile?
2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile is sourced from PubChem (CID 130639969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).