N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine

C18H28ClN — CID 104989036

IUPACN-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C18H28ClN/c1-5-20-18(15-9-12(2)8-13(3)10-15)17-11-16(19)7-6-14(17)4/h6-7,11-13,15,18,20H,5,8-10H2,1-4H3
InChIKeyJMGDBWVRAJPOPB-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.37
Rot. Bonds4

About N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine

N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 104989036) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
PubChem CID104989036
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C18H28ClN/c1-5-20-18(15-9-12(2)8-13(3)10-15)17-11-16(19)7-6-14(17)4/h6-7,11-13,15,18,20H,5,8-10H2,1-4H3
InChIKeyJMGDBWVRAJPOPB-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112
N-[(5-bromo-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104988636
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105154308
N-[(3,5-dimethylcyclohexyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755408
N-[(3,5-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 64731117
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[(4-bromo-3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 104988660
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 82822142
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine (CID 104989036) is N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1C)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is JMGDBWVRAJPOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-5-20-18(15-9-12(2)8-13(3)10-15)17-11-16(19)7-6-14(17)4/h6-7,11-13,15,18,20H,5,8-10H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine?
N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 293.88 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104989036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).