2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine

C17H27NO2 — CID 60733205

IUPAC2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
SMILESCCOc1cc(CNCCC2CCCC2)ccc1OC
InChIInChI=1S/C17H27NO2/c1-3-20-17-12-15(8-9-16(17)19-2)13-18-11-10-14-6-4-5-7-14/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3
InChIKeyYDMLQVSEIDTWLO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds8

About 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine

2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine (PubChem CID 60733205) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
PubChem CID60733205
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
SMILESCCOc1cc(CNCCC2CCCC2)ccc1OC
InChIInChI=1S/C17H27NO2/c1-3-20-17-12-15(8-9-16(17)19-2)13-18-11-10-14-6-4-5-7-14/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3
InChIKeyYDMLQVSEIDTWLO-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
CID 115690084
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60733457
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine (CID 60733205) is 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine is CCOc1cc(CNCCC2CCCC2)ccc1OC.
What is the InChIKey of 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is YDMLQVSEIDTWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-20-17-12-15(8-9-16(17)19-2)13-18-11-10-14-6-4-5-7-14/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine?
2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60733205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).