2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine

C17H27NO2 — CID 62802621

IUPAC2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H27NO2/c1-4-18-15-9-7-8-14(15)13-10-11-16(19-5-2)17(12-13)20-6-3/h10-12,14-15,18H,4-9H2,1-3H3
InChIKeyZEOWYSWNLOXCAL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.73
Rot. Bonds7

About 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine

2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine (PubChem CID 62802621) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine
PubChem CID62802621
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H27NO2/c1-4-18-15-9-7-8-14(15)13-10-11-16(19-5-2)17(12-13)20-6-3/h10-12,14-15,18H,4-9H2,1-3H3
InChIKeyZEOWYSWNLOXCAL-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-diethoxyphenyl)cyclopentan-1-amine
CID 62802273
1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028647
[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
CID 81011540
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
CID 62801783
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
N-ethyl-2-(4-phenylphenyl)cyclopentan-1-amine
CID 65454761
3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
CID 64908099
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
N-ethyl-2-quinolin-7-ylcycloheptan-1-amine
CID 81224624
N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261
2-(3,4-diethoxyphenyl)piperidine
CID 4544824

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine (CID 62802621) is 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine is CCNC1CCCC1c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine?
The InChIKey is ZEOWYSWNLOXCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-15-9-7-8-14(15)13-10-11-16(19-5-2)17(12-13)20-6-3/h10-12,14-15,18H,4-9H2,1-3H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine?
2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 62802621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).