2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine

C19H31N — CID 65303868

IUPAC2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
SMILESCCNCCC1(CCc2ccc(C)c(C)c2)CCCC1
InChIInChI=1S/C19H31N/c1-4-20-14-13-19(10-5-6-11-19)12-9-18-8-7-16(2)17(3)15-18/h7-8,15,20H,4-6,9-14H2,1-3H3
InChIKeyCWHALMGEDDLCJQ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.80
Rot. Bonds7

About 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine

2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine (PubChem CID 65303868) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
PubChem CID65303868
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
SMILESCCNCCC1(CCc2ccc(C)c(C)c2)CCCC1
InChIInChI=1S/C19H31N/c1-4-20-14-13-19(10-5-6-11-19)12-9-18-8-7-16(2)17(3)15-18/h7-8,15,20H,4-6,9-14H2,1-3H3
InChIKeyCWHALMGEDDLCJQ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine?
The IUPAC name of 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine (CID 65303868) is 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine?
The canonical SMILES for 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine is CCNCCC1(CCc2ccc(C)c(C)c2)CCCC1.
What is the InChIKey of 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine?
The InChIKey is CWHALMGEDDLCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-20-14-13-19(10-5-6-11-19)12-9-18-8-7-16(2)17(3)15-18/h7-8,15,20H,4-6,9-14H2,1-3H3.
What are the key properties of 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine?
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine is sourced from PubChem (CID 65303868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).