N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine

C14H20FN — CID 115892229

IUPACN-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NC(C)c1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-3-5-12-9-14(12)16-10(2)11-6-4-7-13(15)8-11/h4,6-8,10,12,14,16H,3,5,9H2,1-2H3
InChIKeyUUIFNZFFAYFRCG-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.66
Rot. Bonds5

About N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine

N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine (PubChem CID 115892229) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
PubChem CID115892229
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NC(C)c1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-3-5-12-9-14(12)16-10(2)11-6-4-7-13(15)8-11/h4,6-8,10,12,14,16H,3,5,9H2,1-2H3
InChIKeyUUIFNZFFAYFRCG-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-[1-[(2-propylcyclopropyl)amino]ethyl]phenol
CID 104583308
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
2-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopentan-1-amine
CID 81364867
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine (CID 115892229) is N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine is CCCC1CC1NC(C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine?
The InChIKey is UUIFNZFFAYFRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-5-12-9-14(12)16-10(2)11-6-4-7-13(15)8-11/h4,6-8,10,12,14,16H,3,5,9H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine?
N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 115892229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).