N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine

C17H26FNO — CID 65413801

IUPACN-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(F)c1)C1CCC(C)C1
InChIInChI=1S/C17H26FNO/c1-4-9-19-17(13-6-5-12(2)10-13)14-7-8-16(20-3)15(18)11-14/h7-8,11-13,17,19H,4-6,9-10H2,1-3H3
InChIKeyJVFARYJSDCZSPQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.31
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine

N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 65413801) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
PubChem CID65413801
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(F)c1)C1CCC(C)C1
InChIInChI=1S/C17H26FNO/c1-4-9-19-17(13-6-5-12(2)10-13)14-7-8-16(20-3)15(18)11-14/h7-8,11-13,17,19H,4-6,9-10H2,1-3H3
InChIKeyJVFARYJSDCZSPQ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]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-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65414607
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855741
4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
CID 64720986
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544711

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine (CID 65413801) is N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)c(F)c1)C1CCC(C)C1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is JVFARYJSDCZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-9-19-17(13-6-5-12(2)10-13)14-7-8-16(20-3)15(18)11-14/h7-8,11-13,17,19H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 65413801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).