1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine

C14H21NO2 — CID 117342977

IUPAC1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
SMILESCCOc1c(OC)cccc1C1(N)CCCC1
InChIInChI=1S/C14H21NO2/c1-3-17-13-11(7-6-8-12(13)16-2)14(15)9-4-5-10-14/h6-8H,3-5,9-10,15H2,1-2H3
InChIKeyCSNOWWFWXORAGQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine

1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine (PubChem CID 117342977) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
PubChem CID117342977
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
SMILESCCOc1c(OC)cccc1C1(N)CCCC1
InChIInChI=1S/C14H21NO2/c1-3-17-13-11(7-6-8-12(13)16-2)14(15)9-4-5-10-14/h6-8H,3-5,9-10,15H2,1-2H3
InChIKeyCSNOWWFWXORAGQ-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine
CID 90993861
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117444635
1-(8-methoxyquinolin-4-yl)cyclohexan-1-amine
CID 82665358
2-(1-aminocyclopentyl)-3-ethoxyphenol
CID 117316542
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
N-[2-(1-aminocyclohexyl)-6-methoxyphenyl]acetamide
CID 117410781
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine (CID 117342977) is 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine is CCOc1c(OC)cccc1C1(N)CCCC1.
What is the InChIKey of 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is CSNOWWFWXORAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-17-13-11(7-6-8-12(13)16-2)14(15)9-4-5-10-14/h6-8H,3-5,9-10,15H2,1-2H3.
What are the key properties of 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine?
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117342977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).