1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C17H26ClN — CID 107102502

IUPAC1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H26ClN/c1-4-13-8-10-14(11-9-13)17(19-3)15-6-5-7-16(18)12(15)2/h5-7,13-14,17,19H,4,8-11H2,1-3H3
InChIKeyLIEWUSAGYZPJGR-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.13
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 107102502) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID107102502
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H26ClN/c1-4-13-8-10-14(11-9-13)17(19-3)15-6-5-7-16(18)12(15)2/h5-7,13-14,17,19H,4,8-11H2,1-3H3
InChIKeyLIEWUSAGYZPJGR-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.85
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392706
1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 107103005
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
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-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
CID 107103370
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanamine
CID 65393105
1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991020
1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413766

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 107102502) is 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2cccc(Cl)c2C)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is LIEWUSAGYZPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-13-8-10-14(11-9-13)17(19-3)15-6-5-7-16(18)12(15)2/h5-7,13-14,17,19H,4,8-11H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 279.85 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 107102502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).