3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine

C16H25NO2 — CID 64908099

IUPAC3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
SMILESCCOc1ccc(C2CCC(N)C2C)cc1OCC
InChIInChI=1S/C16H25NO2/c1-4-18-15-9-6-12(10-16(15)19-5-2)13-7-8-14(17)11(13)3/h6,9-11,13-14H,4-5,7-8,17H2,1-3H3
InChIKeyFESWBZGWAYUWIB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds5

About 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine

3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine (PubChem CID 64908099) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
PubChem CID64908099
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
SMILESCCOc1ccc(C2CCC(N)C2C)cc1OCC
InChIInChI=1S/C16H25NO2/c1-4-18-15-9-6-12(10-16(15)19-5-2)13-7-8-14(17)11(13)3/h6,9-11,13-14H,4-5,7-8,17H2,1-3H3
InChIKeyFESWBZGWAYUWIB-UHFFFAOYSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-diethoxyphenyl)cyclopentan-1-amine
CID 62802273
[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
CID 81011540
(3S,4R)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-4-amine;dihydrochloride
CID 70021699
1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028647
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine
CID 62802621
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
CID 81415517
1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
CID 62788660
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine (CID 64908099) is 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine is CCOc1ccc(C2CCC(N)C2C)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine?
The InChIKey is FESWBZGWAYUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-15-9-6-12(10-16(15)19-5-2)13-7-8-14(17)11(13)3/h6,9-11,13-14H,4-5,7-8,17H2,1-3H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine?
3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64908099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).