1-(cyclopropylamino)-3-phenylbutan-2-ol

C13H19NO — CID 62773740

IUPAC1-(cyclopropylamino)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)CNC1CC1
InChIInChI=1S/C13H19NO/c1-10(11-5-3-2-4-6-11)13(15)9-14-12-7-8-12/h2-6,10,12-15H,7-9H2,1H3
InChIKeyFUZXFCPGGXZHTP-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.90
Rot. Bonds5

About 1-(cyclopropylamino)-3-phenylbutan-2-ol

1-(cyclopropylamino)-3-phenylbutan-2-ol (PubChem CID 62773740) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-phenylbutan-2-ol
PubChem CID62773740
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(cyclopropylamino)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)CNC1CC1
InChIInChI=1S/C13H19NO/c1-10(11-5-3-2-4-6-11)13(15)9-14-12-7-8-12/h2-6,10,12-15H,7-9H2,1H3
InChIKeyFUZXFCPGGXZHTP-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol
CID 59051627
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962
4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-N-cyclopropyl-2-N-(2-phenylbutyl)propane-1,2-diamine
CID 113407445
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
N-(2-methyl-4-phenylsulfanylbutyl)cyclopropanamine
CID 79228974

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-phenylbutan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-phenylbutan-2-ol (CID 62773740) is 1-(cyclopropylamino)-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-phenylbutan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-phenylbutan-2-ol is CC(c1ccccc1)C(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-phenylbutan-2-ol?
The InChIKey is FUZXFCPGGXZHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(11-5-3-2-4-6-11)13(15)9-14-12-7-8-12/h2-6,10,12-15H,7-9H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-phenylbutan-2-ol?
1-(cyclopropylamino)-3-phenylbutan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-phenylbutan-2-ol is sourced from PubChem (CID 62773740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).