1-(2-phenylpropylamino)propan-2-ol;hydrochloride

C12H20ClNO — CID 17157480

IUPAC1-(2-phenylpropylamino)propan-2-ol;hydrochloride
SMILESCC(O)CNCC(C)c1ccccc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-10(8-13-9-11(2)14)12-6-4-3-5-7-12;/h3-7,10-11,13-14H,8-9H2,1-2H3;1H
InChIKeySLGKHUBQVKGIOK-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.18
Rot. Bonds5

About 1-(2-phenylpropylamino)propan-2-ol;hydrochloride

1-(2-phenylpropylamino)propan-2-ol;hydrochloride (PubChem CID 17157480) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-(2-phenylpropylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylpropylamino)propan-2-ol;hydrochloride
PubChem CID17157480
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name1-(2-phenylpropylamino)propan-2-ol;hydrochloride
SMILESCC(O)CNCC(C)c1ccccc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-10(8-13-9-11(2)14)12-6-4-3-5-7-12;/h3-7,10-11,13-14H,8-9H2,1-2H3;1H
InChIKeySLGKHUBQVKGIOK-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine
CID 114200183
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
CID 113430199
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-phenylpropylamino)propan-2-ol;hydrochloride (CID 17157480) is 1-(2-phenylpropylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-phenylpropylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-phenylpropylamino)propan-2-ol;hydrochloride is CC(O)CNCC(C)c1ccccc1.Cl.
What is the InChIKey of 1-(2-phenylpropylamino)propan-2-ol;hydrochloride?
The InChIKey is SLGKHUBQVKGIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-10(8-13-9-11(2)14)12-6-4-3-5-7-12;/h3-7,10-11,13-14H,8-9H2,1-2H3;1H.
What are the key properties of 1-(2-phenylpropylamino)propan-2-ol;hydrochloride?
1-(2-phenylpropylamino)propan-2-ol;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 17157480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).