(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol

C18H24N2O — CID 68607283

IUPAC(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccccc1
InChIInChI=1S/C18H24N2O/c19-17(13-16-9-5-2-6-10-16)18(21)14-20-12-11-15-7-3-1-4-8-15/h1-10,17-18,20-21H,11-14,19H2/t17-,18+/m0/s1
InChIKeyDEGHDTOBANFXQH-ZWKOTPCHSA-N
MW284.40 g/mol
LogP1.75
Rot. Bonds8

About (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol

(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol (PubChem CID 68607283) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
PubChem CID68607283
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccccc1
InChIInChI=1S/C18H24N2O/c19-17(13-16-9-5-2-6-10-16)18(21)14-20-12-11-15-7-3-1-4-8-15/h1-10,17-18,20-21H,11-14,19H2/t17-,18+/m0/s1
InChIKeyDEGHDTOBANFXQH-ZWKOTPCHSA-N
XLogP1.75
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-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-1-(butylamino)-4-phenylbutan-2-ol
CID 57428241
(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol
CID 142662271
3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol
CID 142242604
(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol
CID 68890620
(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-1-[(3,4-dimethylphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608839
(2S)-3-amino-4-phenyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 142662312
(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol
CID 68608574
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol (CID 68607283) is (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccccc1.
What is the InChIKey of (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol?
The InChIKey is DEGHDTOBANFXQH-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H24N2O/c19-17(13-16-9-5-2-6-10-16)18(21)14-20-12-11-15-7-3-1-4-8-15/h1-10,17-18,20-21H,11-14,19H2/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol?
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol is sourced from PubChem (CID 68607283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).