1-phenyl-2-(1-phenylpropylamino)propan-1-ol

C18H23NO — CID 12999293

IUPAC1-phenyl-2-(1-phenylpropylamino)propan-1-ol
SMILESCCC(NC(C)C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-17(15-10-6-4-7-11-15)19-14(2)18(20)16-12-8-5-9-13-16/h4-14,17-20H,3H2,1-2H3
InChIKeyUPWWPDXPFCAURY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.85
Rot. Bonds6

About 1-phenyl-2-(1-phenylpropylamino)propan-1-ol

1-phenyl-2-(1-phenylpropylamino)propan-1-ol (PubChem CID 12999293) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-phenyl-2-(1-phenylpropylamino)propan-1-ol.

Molecular Properties

Compound Name1-phenyl-2-(1-phenylpropylamino)propan-1-ol
PubChem CID12999293
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-phenyl-2-(1-phenylpropylamino)propan-1-ol
SMILESCCC(NC(C)C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-17(15-10-6-4-7-11-15)19-14(2)18(20)16-12-8-5-9-13-16/h4-14,17-20H,3H2,1-2H3
InChIKeyUPWWPDXPFCAURY-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
CID 141070441
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid
CID 82312104
(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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-phenylpropylamino)propan-1-ol?
The IUPAC name of 1-phenyl-2-(1-phenylpropylamino)propan-1-ol (CID 12999293) is 1-phenyl-2-(1-phenylpropylamino)propan-1-ol.
What is the SMILES notation for 1-phenyl-2-(1-phenylpropylamino)propan-1-ol?
The canonical SMILES for 1-phenyl-2-(1-phenylpropylamino)propan-1-ol is CCC(NC(C)C(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1-phenylpropylamino)propan-1-ol?
The InChIKey is UPWWPDXPFCAURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-17(15-10-6-4-7-11-15)19-14(2)18(20)16-12-8-5-9-13-16/h4-14,17-20H,3H2,1-2H3.
What are the key properties of 1-phenyl-2-(1-phenylpropylamino)propan-1-ol?
1-phenyl-2-(1-phenylpropylamino)propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-phenylpropylamino)propan-1-ol is sourced from PubChem (CID 12999293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).