(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol

C12H19NO — CID 14697423

IUPAC(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
SMILESCCCN[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-3-9-13-10(2)12(14)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12-/m1/s1
InChIKeyTZGNKPPTDBAJAP-ZYHUDNBSSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds5

About (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol

(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol (PubChem CID 14697423) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
PubChem CID14697423
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
SMILESCCCN[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-3-9-13-10(2)12(14)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12-/m1/s1
InChIKeyTZGNKPPTDBAJAP-ZYHUDNBSSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
3-phenyl-N-propylpentan-2-amine
CID 66438754
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
2-[3,3-di(thiophen-3-yl)propylamino]-1-phenylpropan-1-ol
CID 110178083
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol?
The IUPAC name of (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol (CID 14697423) is (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol?
The canonical SMILES for (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol is CCCN[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol?
The InChIKey is TZGNKPPTDBAJAP-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9-13-10(2)12(14)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol?
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-phenyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 14697423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).