3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine

C17H26FNO — CID 104795136

IUPAC3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2cccc(OC)c2F)C1C
InChIInChI=1S/C17H26FNO/c1-4-10-19-15-9-8-13(12(15)2)11-14-6-5-7-16(20-3)17(14)18/h5-7,12-13,15,19H,4,8-11H2,1-3H3
InChIKeyXVTAOVDQILAJOR-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.79
Rot. Bonds6

About 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine

3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 104795136) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
PubChem CID104795136
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2cccc(OC)c2F)C1C
InChIInChI=1S/C17H26FNO/c1-4-10-19-15-9-8-13(12(15)2)11-14-6-5-7-16(20-3)17(14)18/h5-7,12-13,15,19H,4,8-11H2,1-3H3
InChIKeyXVTAOVDQILAJOR-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-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-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795135
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 104792652
3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910087
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
1-[(2-chloro-5-methylcyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 113453828
4-[(2-fluoro-3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 104791352
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64907706

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine (CID 104795136) is 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2cccc(OC)c2F)C1C.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is XVTAOVDQILAJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-10-19-15-9-8-13(12(15)2)11-14-6-5-7-16(20-3)17(14)18/h5-7,12-13,15,19H,4,8-11H2,1-3H3.
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 104795136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).