2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine

C16H23Cl2N — CID 64729510

IUPAC2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
SMILESCC1CC(C)CC(C(N)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H23Cl2N/c1-10-5-11(2)7-13(6-10)16(19)9-12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13,16H,5-7,9,19H2,1-2H3
InChIKeyVNJXXNYXVRTFEP-UHFFFAOYSA-N
MW300.27 g/mol
LogP4.94
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine

2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine (PubChem CID 64729510) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
PubChem CID64729510
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
SMILESCC1CC(C)CC(C(N)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H23Cl2N/c1-10-5-11(2)7-13(6-10)16(19)9-12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13,16H,5-7,9,19H2,1-2H3
InChIKeyVNJXXNYXVRTFEP-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739450
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
2-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 64905184
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
2-(3,4-dichlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627542
2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine
CID 66144370
(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 107993524
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine (CID 64729510) is 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine is CC1CC(C)CC(C(N)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The InChIKey is VNJXXNYXVRTFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-10-5-11(2)7-13(6-10)16(19)9-12-3-4-14(17)15(18)8-12/h3-4,8,10-11,13,16H,5-7,9,19H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine has a molecular weight of 300.27 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 64729510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).