1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine

C17H27NO2 — CID 80693589

IUPAC1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine
SMILESCCOc1ccc(C2(N)CCC(C)(C)C2)cc1OCC
InChIInChI=1S/C17H27NO2/c1-5-19-14-8-7-13(11-15(14)20-6-2)17(18)10-9-16(3,4)12-17/h7-8,11H,5-6,9-10,12,18H2,1-4H3
InChIKeyIGKRCVYJJSBLNG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds5

About 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine

1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 80693589) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine
PubChem CID80693589
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine
SMILESCCOc1ccc(C2(N)CCC(C)(C)C2)cc1OCC
InChIInChI=1S/C17H27NO2/c1-5-19-14-8-7-13(11-15(14)20-6-2)17(18)10-9-16(3,4)12-17/h7-8,11H,5-6,9-10,12,18H2,1-4H3
InChIKeyIGKRCVYJJSBLNG-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(2,3-Dihydro-1,4-benzodioxin-6-yl)cyclopentyl)methanamine hydrochloride
CID 6602724
3,4-Diethoxyphenethylamine
CID 840694
1-(4-Methoxy-3-phenethyloxy-benzyl)-pentylamine
CID 10616210
1-(4-Methoxy-3-phenethyloxy-benzyl)-heptylamine
CID 10618199
1-(4-Methoxy-3-phenethyloxy-benzyl)-octylamine
CID 10642861
1-(4-Methoxy-3-phenethyloxy-benzyl)-nonylamine
CID 11794387
1-[4-Methoxy-3-(2-phenylethoxy)phenyl]pentan-2-amine;hydrochloride
CID 45261928
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-amine
CID 3146111
(1R)-1-(3,4-dimethoxyphenyl)ethan-1-amine
CID 793783
2-(1,3-Dioxaindan-5-yl)propan-2-amine
CID 20811520
1-(3,4-diethoxyphenyl)ethanamine Hydrochloride
CID 2917742
4-Ethoxy-3-methoxyphenethylamine
CID 142076

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine (CID 80693589) is 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine is CCOc1ccc(C2(N)CCC(C)(C)C2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is IGKRCVYJJSBLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-19-14-8-7-13(11-15(14)20-6-2)17(18)10-9-16(3,4)12-17/h7-8,11H,5-6,9-10,12,18H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine?
1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80693589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).