1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine

C17H26ClN — CID 106857795

IUPAC1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1Cl)C1CC(C)CC(C)C1
InChIInChI=1S/C17H26ClN/c1-11-5-6-15(16(18)10-11)17(19-4)14-8-12(2)7-13(3)9-14/h5-6,10,12-14,17,19H,7-9H2,1-4H3
InChIKeyWUADIEFMQFEJGO-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.98
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine

1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 106857795) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID106857795
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)cc1Cl)C1CC(C)CC(C)C1
InChIInChI=1S/C17H26ClN/c1-11-5-6-15(16(18)10-11)17(19-4)14-8-12(2)7-13(3)9-14/h5-6,10,12-14,17,19H,7-9H2,1-4H3
InChIKeyWUADIEFMQFEJGO-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 104989009
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789923
1-(5-bromo-2-fluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 114894811
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114824998
1-(3,5-dimethylcyclohexyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533801
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(2-chloro-4-methylphenyl)-cyclopropylmethanol
CID 58392529
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 104991936
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55132757

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine (CID 106857795) is 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1ccc(C)cc1Cl)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is WUADIEFMQFEJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-11-5-6-15(16(18)10-11)17(19-4)14-8-12(2)7-13(3)9-14/h5-6,10,12-14,17,19H,7-9H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine?
1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 279.86 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 106857795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).