2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

C17H27NO3 — CID 60733457

IUPAC2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNCCC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C17H27NO3/c1-19-15-10-14(11-16(20-2)17(15)21-3)12-18-9-8-13-6-4-5-7-13/h10-11,13,18H,4-9,12H2,1-3H3
InChIKeyJBEFUHZLPRMCBM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.38
Rot. Bonds8

About 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 60733457) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID60733457
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNCCC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C17H27NO3/c1-19-15-10-14(11-16(20-2)17(15)21-3)12-18-9-8-13-6-4-5-7-13/h10-11,13,18H,4-9,12H2,1-3H3
InChIKeyJBEFUHZLPRMCBM-UHFFFAOYSA-N
XLogP3.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115639480
2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
1-(2-cyclopropylethyl)-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111604741
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-cyclopropylpropan-1-amine
CID 115639614
(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629149
2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
CID 17214225

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (CID 60733457) is 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(CNCCC2CCCC2)cc(OC)c1OC.
What is the InChIKey of 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is JBEFUHZLPRMCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-19-15-10-14(11-16(20-2)17(15)21-3)12-18-9-8-13-6-4-5-7-13/h10-11,13,18H,4-9,12H2,1-3H3.
What are the key properties of 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60733457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).