N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine

C17H27NO — CID 81034049

IUPACN-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
SMILESCCOc1ccc(C2CCCC2CNC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-19-16-10-8-14(9-11-16)17-7-5-6-15(17)12-18-13(2)3/h8-11,13,15,17-18H,4-7,12H2,1-3H3
InChIKeyLGGMETQKLZPTJX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds6

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

N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81034049) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81034049
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
SMILESCCOc1ccc(C2CCCC2CNC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-19-16-10-8-14(9-11-16)17-7-5-6-15(17)12-18-13(2)3/h8-11,13,15,17-18H,4-7,12H2,1-3H3
InChIKeyLGGMETQKLZPTJX-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034354
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
2-(4-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326
N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712637
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81034647
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027158
1-[2-(4-ethoxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031773

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine (CID 81034049) is N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine is CCOc1ccc(C2CCCC2CNC(C)C)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is LGGMETQKLZPTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-16-10-8-14(9-11-16)17-7-5-6-15(17)12-18-13(2)3/h8-11,13,15,17-18H,4-7,12H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 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]propan-2-amine is sourced from PubChem (CID 81034049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).