1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine

C16H24ClN — CID 106857386

IUPAC1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1ccc(C)cc1Cl
InChIInChI=1S/C16H24ClN/c1-3-18-16(11-13-6-4-5-7-13)14-9-8-12(2)10-15(14)17/h8-10,13,16,18H,3-7,11H2,1-2H3
InChIKeyCEGMSDLEFFCWTQ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.88
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine

1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine (PubChem CID 106857386) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
PubChem CID106857386
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1ccc(C)cc1Cl
InChIInChI=1S/C16H24ClN/c1-3-18-16(11-13-6-4-5-7-13)14-9-8-12(2)10-15(14)17/h8-10,13,16,18H,3-7,11H2,1-2H3
InChIKeyCEGMSDLEFFCWTQ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106858183
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine (CID 106857386) is 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine is CCNC(CC1CCCC1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine?
The InChIKey is CEGMSDLEFFCWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-18-16(11-13-6-4-5-7-13)14-9-8-12(2)10-15(14)17/h8-10,13,16,18H,3-7,11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine?
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 106857386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).