(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol

C19H26N2O2 — CID 68890620

IUPAC(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1CCO
InChIInChI=1S/C19H26N2O2/c20-18(12-15-6-2-1-3-7-15)19(23)14-21-13-17-9-5-4-8-16(17)10-11-22/h1-9,18-19,21-23H,10-14,20H2/t18-,19+/m0/s1
InChIKeyDMKMTKXZQSZDAJ-RBUKOAKNSA-N
MW314.43 g/mol
LogP1.24
Rot. Bonds9

About (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol

(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol (PubChem CID 68890620) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol
PubChem CID68890620
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1CCO
InChIInChI=1S/C19H26N2O2/c20-18(12-15-6-2-1-3-7-15)19(23)14-21-13-17-9-5-4-8-16(17)10-11-22/h1-9,18-19,21-23H,10-14,20H2/t18-,19+/m0/s1
InChIKeyDMKMTKXZQSZDAJ-RBUKOAKNSA-N
XLogP1.24
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
(2S)-3-amino-1-[(4-methylphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662276
(2R,3S)-3-amino-1-[(4-chlorophenyl)methylamino]-4-phenylbutan-2-ol
CID 68609022
(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol
CID 68608574
(2S)-3-amino-4-phenyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 142662312
(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457
(2R,3S)-3-amino-1-[(3,4-dimethylphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608839
(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662303
(2R,3S)-3-amino-1-[(3-tert-butylphenyl)methylamino]-4-phenylbutan-2-ol
CID 59569831
(2R,3S)-3-amino-1-(butylamino)-4-phenylbutan-2-ol
CID 57428241
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol (CID 68890620) is (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1CCO.
What is the InChIKey of (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol?
The InChIKey is DMKMTKXZQSZDAJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H26N2O2/c20-18(12-15-6-2-1-3-7-15)19(23)14-21-13-17-9-5-4-8-16(17)10-11-22/h1-9,18-19,21-23H,10-14,20H2/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol?
(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 1.24, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol is sourced from PubChem (CID 68890620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).