(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol

C16H19ClN2O — CID 69147350

IUPAC(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O/c17-13-8-4-5-9-15(13)19-11-16(20)14(18)10-12-6-2-1-3-7-12/h1-9,14,16,19-20H,10-11,18H2/t14-,16+/m0/s1
InChIKeyGYIIMQNPLQYKJB-GOEBONIOSA-N
MW290.79 g/mol
LogP2.68
Rot. Bonds6

About (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol

(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol (PubChem CID 69147350) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol
PubChem CID69147350
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O/c17-13-8-4-5-9-15(13)19-11-16(20)14(18)10-12-6-2-1-3-7-12/h1-9,14,16,19-20H,10-11,18H2/t14-,16+/m0/s1
InChIKeyGYIIMQNPLQYKJB-GOEBONIOSA-N
XLogP2.68
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(2R,3S)-3-amino-1-[(4-chlorophenyl)methylamino]-4-phenylbutan-2-ol
CID 68609022
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
2-amino-3-(2-chloroanilino)propan-1-ol
CID 67271786
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
1-(2-chloroanilino)-3-fluoropropan-2-ol
CID 130859302
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2R,3S)-3-amino-1-(butylamino)-4-phenylbutan-2-ol
CID 57428241
2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol
CID 114488231

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol (CID 69147350) is (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1Cl.
What is the InChIKey of (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol?
The InChIKey is GYIIMQNPLQYKJB-GOEBONIOSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-8-4-5-9-15(13)19-11-16(20)14(18)10-12-6-2-1-3-7-12/h1-9,14,16,19-20H,10-11,18H2/t14-,16+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol?
(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol has a molecular weight of 290.79 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol is sourced from PubChem (CID 69147350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).