(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol

C12H19NO — CID 70464274

IUPAC(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@@H](C)C(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-9(2)13-10(3)12(14)11-7-5-4-6-8-11/h4-10,12-14H,1-3H3/t10-,12?/m0/s1
InChIKeyDPMPTDANQUZYEX-NUHJPDEHSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds4

About (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol

(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 70464274) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID70464274
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@@H](C)C(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-9(2)13-10(3)12(14)11-7-5-4-6-8-11/h4-10,12-14H,1-3H3/t10-,12?/m0/s1
InChIKeyDPMPTDANQUZYEX-NUHJPDEHSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-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

1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
CID 76973466
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 112514141
2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
CID 3042918
2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid
CID 82312104

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol (CID 70464274) is (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol is CC(C)N[C@@H](C)C(O)c1ccccc1.
What is the InChIKey of (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is DPMPTDANQUZYEX-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)13-10(3)12(14)11-7-5-4-6-8-11/h4-10,12-14H,1-3H3/t10-,12?/m0/s1.
What are the key properties of (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol?
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 70464274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).