3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine

C18H28FN — CID 106883936

IUPAC3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
SMILESCCNC(CCC1CCCC1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H28FN/c1-4-20-17(10-9-15-7-5-6-8-15)18-14(3)11-13(2)12-16(18)19/h11-12,15,17,20H,4-10H2,1-3H3
InChIKeyVTDKGTSXDRLAAB-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.06
Rot. Bonds6

About 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine

3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine (PubChem CID 106883936) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
PubChem CID106883936
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
SMILESCCNC(CCC1CCCC1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H28FN/c1-4-20-17(10-9-15-7-5-6-8-15)18-14(3)11-13(2)12-16(18)19/h11-12,15,17,20H,4-10H2,1-3H3
InChIKeyVTDKGTSXDRLAAB-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)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

N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
3-cyclohexyl-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 43484245
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883381
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 106883837
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883887
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine (CID 106883936) is 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine is CCNC(CCC1CCCC1)c1c(C)cc(C)cc1F.
What is the InChIKey of 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
The InChIKey is VTDKGTSXDRLAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-4-20-17(10-9-15-7-5-6-8-15)18-14(3)11-13(2)12-16(18)19/h11-12,15,17,20H,4-10H2,1-3H3.
What are the key properties of 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine?
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 106883936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).