2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine

C18H29NO — CID 82937094

IUPAC2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1ccc(C)c(C)c1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-14-8-9-17(12-15(14)2)18(13-19-10-11-20-3)16-6-4-5-7-16/h8-9,12,16,18-19H,4-7,10-11,13H2,1-3H3
InChIKeyADZVGRFAFUCLFG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.81
Rot. Bonds7

About 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine

2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 82937094) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID82937094
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1ccc(C)c(C)c1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-14-8-9-17(12-15(14)2)18(13-19-10-11-20-3)16-6-4-5-7-16/h8-9,12,16,18-19H,4-7,10-11,13H2,1-3H3
InChIKeyADZVGRFAFUCLFG-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.81
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

2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82936231
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82934214
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 82924013
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 116662419
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666
(1R,5R)-1,5-dicyclohexyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304221
2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82936076
2-(3-bromophenyl)-2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)ethanamine
CID 79431152
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine (CID 82937094) is 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine is COCCNCC(c1ccc(C)c(C)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is ADZVGRFAFUCLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-8-9-17(12-15(14)2)18(13-19-10-11-20-3)16-6-4-5-7-16/h8-9,12,16,18-19H,4-7,10-11,13H2,1-3H3.
What are the key properties of 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine?
2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 82937094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).