N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine

C17H25NO — CID 81034354

IUPACN-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESCCOc1ccc(C2CCCC2CNC2CC2)cc1
InChIInChI=1S/C17H25NO/c1-2-19-16-10-6-13(7-11-16)17-5-3-4-14(17)12-18-15-8-9-15/h6-7,10-11,14-15,17-18H,2-5,8-9,12H2,1H3
InChIKeyCNZAJGGPZWHIHC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds6

About N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 81034354) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID81034354
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
SMILESCCOc1ccc(C2CCCC2CNC2CC2)cc1
InChIInChI=1S/C17H25NO/c1-2-19-16-10-6-13(7-11-16)17-5-3-4-14(17)12-18-15-8-9-15/h6-7,10-11,14-15,17-18H,2-5,8-9,12H2,1H3
InChIKeyCNZAJGGPZWHIHC-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034049
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
CID 81024481
N-[[2-(6-methyl-3-pyridinyl)cyclopentyl]methyl]cyclopropanamine
CID 81034690
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
2-(4-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 114523573
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine (CID 81034354) is N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine is CCOc1ccc(C2CCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is CNZAJGGPZWHIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-19-16-10-6-13(7-11-16)17-5-3-4-14(17)12-18-15-8-9-15/h6-7,10-11,14-15,17-18H,2-5,8-9,12H2,1H3.
What are the key properties of N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81034354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).