3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine

C17H26FNO — CID 43561458

IUPAC3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCC1CCCC1)c1ccc(OC)cc1F
InChIInChI=1S/C17H26FNO/c1-3-19-17(11-8-13-6-4-5-7-13)15-10-9-14(20-2)12-16(15)18/h9-10,12-13,17,19H,3-8,11H2,1-2H3
InChIKeyWCUKNUWWPUNHII-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.46
Rot. Bonds7

About 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine

3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine (PubChem CID 43561458) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
PubChem CID43561458
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCC1CCCC1)c1ccc(OC)cc1F
InChIInChI=1S/C17H26FNO/c1-3-19-17(11-8-13-6-4-5-7-13)15-10-9-14(20-2)12-16(15)18/h9-10,12-13,17,19H,3-8,11H2,1-2H3
InChIKeyWCUKNUWWPUNHII-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561214
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 43492217
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 81301655
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
CID 103395819
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
N-ethyl-1-(2-fluoro-4-methoxyphenyl)but-3-yn-1-amine
CID 81304172
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156287
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
[1-(2-fluoro-4-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 103397792

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine (CID 43561458) is 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine is CCNC(CCC1CCCC1)c1ccc(OC)cc1F.
What is the InChIKey of 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The InChIKey is WCUKNUWWPUNHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-19-17(11-8-13-6-4-5-7-13)15-10-9-14(20-2)12-16(15)18/h9-10,12-13,17,19H,3-8,11H2,1-2H3.
What are the key properties of 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43561458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).