N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine

C13H18FNO2 — CID 113453577

IUPACN-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNOC2CCCC2)c1F
InChIInChI=1S/C13H18FNO2/c1-16-12-8-4-5-10(13(12)14)9-15-17-11-6-2-3-7-11/h4-5,8,11,15H,2-3,6-7,9H2,1H3
InChIKeyUKWPNDJRYOHORQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.80
Rot. Bonds5

About N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine

N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 113453577) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID113453577
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNOC2CCCC2)c1F
InChIInChI=1S/C13H18FNO2/c1-16-12-8-4-5-10(13(12)14)9-15-17-11-6-2-3-7-11/h4-5,8,11,15H,2-3,6-7,9H2,1H3
InChIKeyUKWPNDJRYOHORQ-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine 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-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 104791765
1-(2-chlorocyclohexyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453890
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105255263
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine (CID 113453577) is N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(CNOC2CCCC2)c1F.
What is the InChIKey of N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is UKWPNDJRYOHORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-12-8-4-5-10(13(12)14)9-15-17-11-6-2-3-7-11/h4-5,8,11,15H,2-3,6-7,9H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine?
N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 239.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 113453577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).