N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine

C16H22FNO — CID 79437936

IUPACN-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
SMILESFc1ccc(C(CNC2CC2)CC2CCCO2)cc1
InChIInChI=1S/C16H22FNO/c17-14-5-3-12(4-6-14)13(11-18-15-7-8-15)10-16-2-1-9-19-16/h3-6,13,15-16,18H,1-2,7-11H2
InChIKeyAVNPKPUHQYOGPP-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine

N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine (PubChem CID 79437936) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
PubChem CID79437936
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
SMILESFc1ccc(C(CNC2CC2)CC2CCCO2)cc1
InChIInChI=1S/C16H22FNO/c17-14-5-3-12(4-6-14)13(11-18-15-7-8-15)10-16-2-1-9-19-16/h3-6,13,15-16,18H,1-2,7-11H2
InChIKeyAVNPKPUHQYOGPP-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79438066
3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244719
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798
2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
CID 65431740
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 60697164
N-[[5-fluoro-2-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 106496493
N-[2-(oxolan-2-ylmethyl)butyl]cyclopropanamine
CID 62548272
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
CID 43196282
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine (CID 79437936) is N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine is Fc1ccc(C(CNC2CC2)CC2CCCO2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine?
The InChIKey is AVNPKPUHQYOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-5-3-12(4-6-14)13(11-18-15-7-8-15)10-16-2-1-9-19-16/h3-6,13,15-16,18H,1-2,7-11H2.
What are the key properties of N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine?
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine has a molecular weight of 263.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79437936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).