N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine

C15H23NO2 — CID 4717334

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
SMILESCCOc1c(CNC2CCCC2)cccc1OC
InChIInChI=1S/C15H23NO2/c1-3-18-15-12(7-6-10-14(15)17-2)11-16-13-8-4-5-9-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyQQNVTEAMHZZMIF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.13
Rot. Bonds6

About N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine

N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine (PubChem CID 4717334) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
PubChem CID4717334
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
SMILESCCOc1c(CNC2CCCC2)cccc1OC
InChIInChI=1S/C15H23NO2/c1-3-18-15-12(7-6-10-14(15)17-2)11-16-13-8-4-5-9-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyQQNVTEAMHZZMIF-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053366
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491757

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine (CID 4717334) is N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine is CCOc1c(CNC2CCCC2)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine?
The InChIKey is QQNVTEAMHZZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-15-12(7-6-10-14(15)17-2)11-16-13-8-4-5-9-13/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine?
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine has a molecular weight of 249.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 4717334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).