N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine

C17H27NO — CID 81034647

IUPACN-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1cccc(OCC)c1
InChIInChI=1S/C17H27NO/c1-3-11-18-13-15-8-6-10-17(15)14-7-5-9-16(12-14)19-4-2/h5,7,9,12,15,17-18H,3-4,6,8,10-11,13H2,1-2H3
InChIKeyAWGXURWXSGBHDN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds7

About N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine

N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 81034647) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
PubChem CID81034647
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1cccc(OCC)c1
InChIInChI=1S/C17H27NO/c1-3-11-18-13-15-8-6-10-17(15)14-7-5-9-16(12-14)19-4-2/h5,7,9,12,15,17-18H,3-4,6,8,10-11,13H2,1-2H3
InChIKeyAWGXURWXSGBHDN-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023463
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 114523573
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
N-[(2-naphthalen-1-ylcyclopentyl)methyl]propan-1-amine
CID 81033533
1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81033055

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine (CID 81034647) is N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1c1cccc(OCC)c1.
What is the InChIKey of N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is AWGXURWXSGBHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-11-18-13-15-8-6-10-17(15)14-7-5-9-16(12-14)19-4-2/h5,7,9,12,15,17-18H,3-4,6,8,10-11,13H2,1-2H3.
What are the key properties of N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81034647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).