1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol

C13H18FNO2 — CID 112518315

IUPAC1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(F)cc1CC(O)CNC1CC1
InChIInChI=1S/C13H18FNO2/c1-17-13-5-2-10(14)6-9(13)7-12(16)8-15-11-3-4-11/h2,5-6,11-12,15-16H,3-4,7-8H2,1H3
InChIKeyBCHCXPCVXUWEHH-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.49
Rot. Bonds6

About 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol

1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol (PubChem CID 112518315) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol
PubChem CID112518315
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(F)cc1CC(O)CNC1CC1
InChIInChI=1S/C13H18FNO2/c1-17-13-5-2-10(14)6-9(13)7-12(16)8-15-11-3-4-11/h2,5-6,11-12,15-16H,3-4,7-8H2,1H3
InChIKeyBCHCXPCVXUWEHH-UHFFFAOYSA-N
XLogP1.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol
CID 103051132
N-[2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutyl]cyclopropanamine
CID 62529959
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
3-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohexyl]amino]propane-1,2-diol
CID 90412932
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
1-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propan-2-ol
CID 103201565

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol (CID 112518315) is 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol is COc1ccc(F)cc1CC(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol?
The InChIKey is BCHCXPCVXUWEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-13-5-2-10(14)6-9(13)7-12(16)8-15-11-3-4-11/h2,5-6,11-12,15-16H,3-4,7-8H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol?
1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol has a molecular weight of 239.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(5-fluoro-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 112518315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).