1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C16H23Cl2N — CID 65392706

IUPAC1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2N/c1-3-11-7-9-12(10-8-11)16(19-2)13-5-4-6-14(17)15(13)18/h4-6,11-12,16,19H,3,7-10H2,1-2H3
InChIKeyUEYPSWCTMYVISS-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.47
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 65392706) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID65392706
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2N/c1-3-11-7-9-12(10-8-11)16(19-2)13-5-4-6-14(17)15(13)18/h4-6,11-12,16,19H,3,7-10H2,1-2H3
InChIKeyUEYPSWCTMYVISS-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 107102502
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanamine
CID 65393105
1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413766
[(2,3-dichlorophenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232276
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 105155179
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991020
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 107103005

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 65392706) is 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is UEYPSWCTMYVISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-3-11-7-9-12(10-8-11)16(19-2)13-5-4-6-14(17)15(13)18/h4-6,11-12,16,19H,3,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 65392706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).