2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine

C15H21Cl2N — CID 65321480

IUPAC2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-10-3-2-4-11(7-10)15(18)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3
InChIKeyGCXVSABQUPRFAR-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.69
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine

2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine (PubChem CID 65321480) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
PubChem CID65321480
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-10-3-2-4-11(7-10)15(18)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3
InChIKeyGCXVSABQUPRFAR-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414577
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940
2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189012
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine
CID 112569673
2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine (CID 65321480) is 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine is CC1CCCC(C(N)Cc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is GCXVSABQUPRFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10-3-2-4-11(7-10)15(18)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,15H,2-4,7,9,18H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine?
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 286.25 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 65321480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).