3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine

C14H21NO2 — CID 116538682

IUPAC3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine
SMILESCOc1ccc(OC)c(C2(C)CCC(N)C2)c1
InChIInChI=1S/C14H21NO2/c1-14(7-6-10(15)9-14)12-8-11(16-2)4-5-13(12)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyKOSYJQSOLIDTJQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.47
Rot. Bonds3

About 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine

3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine (PubChem CID 116538682) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine
PubChem CID116538682
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine
SMILESCOc1ccc(OC)c(C2(C)CCC(N)C2)c1
InChIInChI=1S/C14H21NO2/c1-14(7-6-10(15)9-14)12-8-11(16-2)4-5-13(12)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyKOSYJQSOLIDTJQ-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene
CID 116540274
3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538709
3-(4-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538662
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
CID 80562191
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
5-methoxyspiro[1,2-dihydroindene-3,2'-oxane]-4'-amine
CID 79368374
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
3-(2,5-dimethoxyphenyl)-3,5,5-trimethylpiperidine
CID 82303319
2-amino-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol
CID 84623934

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine (CID 116538682) is 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine is COc1ccc(OC)c(C2(C)CCC(N)C2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine?
The InChIKey is KOSYJQSOLIDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(7-6-10(15)9-14)12-8-11(16-2)4-5-13(12)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine?
3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116538682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).