N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine

C15H23NO2 — CID 62598717

IUPACN-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
SMILESCOc1ccc(COCCNC2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-15-8-6-13(7-9-15)12-18-11-10-16-14-4-2-3-5-14/h6-9,14,16H,2-5,10-12H2,1H3
InChIKeyAMIPKOKFDARTOY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine

N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine (PubChem CID 62598717) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
PubChem CID62598717
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
SMILESCOc1ccc(COCCNC2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-15-8-6-13(7-9-15)12-18-11-10-16-14-4-2-3-5-14/h6-9,14,16H,2-5,10-12H2,1H3
InChIKeyAMIPKOKFDARTOY-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
CID 171349576
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099386
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
CID 114996272
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
CID 65130563
2-[[(cyclohexylamino)-[2-[(4-methoxyphenyl)methoxy]ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110034687

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine (CID 62598717) is N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine is COc1ccc(COCCNC2CCCC2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine?
The InChIKey is AMIPKOKFDARTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-15-8-6-13(7-9-15)12-18-11-10-16-14-4-2-3-5-14/h6-9,14,16H,2-5,10-12H2,1H3.
What are the key properties of N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine?
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine is sourced from PubChem (CID 62598717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).