N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine

C18H28ClN — CID 104992274

IUPACN-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)C1CCCC(CC)C1
InChIInChI=1S/C18H28ClN/c1-4-14-7-6-8-15(11-14)18(20-5-2)16-9-13(3)10-17(19)12-16/h9-10,12,14-15,18,20H,4-8,11H2,1-3H3
InChIKeyNACBSZKLBKLKKQ-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.52
Rot. Bonds5

About N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine

N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine (PubChem CID 104992274) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
PubChem CID104992274
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)C1CCCC(CC)C1
InChIInChI=1S/C18H28ClN/c1-4-14-7-6-8-15(11-14)18(20-5-2)16-9-13(3)10-17(19)12-16/h9-10,12,14-15,18,20H,4-8,11H2,1-3H3
InChIKeyNACBSZKLBKLKKQ-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
CID 114980853
N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 115567623
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
[(4-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105193324
N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 105156073
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107985076
N-[(2-bromo-3,4-difluorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107539188

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine (CID 104992274) is N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is NACBSZKLBKLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-4-14-7-6-8-15(11-14)18(20-5-2)16-9-13(3)10-17(19)12-16/h9-10,12,14-15,18,20H,4-8,11H2,1-3H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 293.88 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104992274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).