2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine

C12H16FN — CID 82075851

IUPAC2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H16FN/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11H,3-4,7-8,14H2
InChIKeyLPAGAOQIHIFCPA-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.35
Rot. Bonds4

About 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine

2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine (PubChem CID 82075851) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
PubChem CID82075851
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H16FN/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11H,3-4,7-8,14H2
InChIKeyLPAGAOQIHIFCPA-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine
CID 82077917
(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine
CID 95241738
N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 113456650
3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
CID 112569630
3-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-ol
CID 83977158
(1S,2R,3S)-3-amino-1-cyclopropyl-4-(4-fluorophenyl)butane-1,2-diol
CID 57030916
2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
[3-cyclopropyl-1-(4-fluorophenyl)butan-2-yl]hydrazine
CID 105283735
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
1-(2-bromo-2-cyclobutylethyl)-4-fluorobenzene
CID 63018171
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine (CID 82075851) is 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine is NCC(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is LPAGAOQIHIFCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11H,3-4,7-8,14H2.
What are the key properties of 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine?
2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 82075851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).