3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol

C12H16FNO — CID 117244719

IUPAC3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
SMILESOCC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)10(8-15)7-14-12-5-6-12/h1-4,10,12,14-15H,5-8H2
InChIKeyVYPJNUGLDXGYTD-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.65
Rot. Bonds5

About 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol

3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 117244719) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
PubChem CID117244719
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
SMILESOCC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)10(8-15)7-14-12-5-6-12/h1-4,10,12,14-15H,5-8H2
InChIKeyVYPJNUGLDXGYTD-UHFFFAOYSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
CID 79437936
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine
CID 79431040
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
3-(cyclopropylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240284
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
N-[2-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 79438276
1-(4-fluorophenyl)-2-[(1-oxothian-4-yl)amino]ethanol
CID 113479901
N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol (CID 117244719) is 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol is OCC(CNC1CC1)c1ccc(F)cc1.
What is the InChIKey of 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is VYPJNUGLDXGYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)10(8-15)7-14-12-5-6-12/h1-4,10,12,14-15H,5-8H2.
What are the key properties of 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol?
3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 117244719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).