1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C17H26ClN — CID 104990914

IUPAC1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C17H26ClN/c1-4-13-6-8-14(9-7-13)17(19-3)16-11-15(18)10-5-12(16)2/h5,10-11,13-14,17,19H,4,6-9H2,1-3H3
InChIKeyGRCTWLABCVGBNW-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.13
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 104990914) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID104990914
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C17H26ClN/c1-4-13-6-8-14(9-7-13)17(19-3)16-11-15(18)10-5-12(16)2/h5,10-11,13-14,17,19H,4,6-9H2,1-3H3
InChIKeyGRCTWLABCVGBNW-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 ≤ 500279.86
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856559
1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 107102502
1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991020
1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392706
N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 104990929
1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424192
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926
1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 65424736
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 104990914) is 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2cc(Cl)ccc2C)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is GRCTWLABCVGBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-13-6-8-14(9-7-13)17(19-3)16-11-15(18)10-5-12(16)2/h5,10-11,13-14,17,19H,4,6-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 279.86 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-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 104990914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).