N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine

C16H24ClN — CID 114980853

IUPACN-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H24ClN/c1-3-18-16(13-7-5-4-6-8-13)14-9-12(2)10-15(17)11-14/h9-11,13,16,18H,3-8H2,1-2H3
InChIKeyNZURTZDTQPCDOZ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.88
Rot. Bonds4

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

N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine (PubChem CID 114980853) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
PubChem CID114980853
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H24ClN/c1-3-18-16(13-7-5-4-6-8-13)14-9-12(2)10-15(17)11-14/h9-11,13,16,18H,3-8H2,1-2H3
InChIKeyNZURTZDTQPCDOZ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-5-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992274
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[(4-bromo-3,5-dimethylphenyl)-cycloheptylmethyl]ethanamine
CID 114330720
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[(3-bromo-5-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981193
N-[(3-chloro-4-iodophenyl)-cycloheptylmethyl]ethanamine
CID 103216098
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine (CID 114980853) is N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine?
The InChIKey is NZURTZDTQPCDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-18-16(13-7-5-4-6-8-13)14-9-12(2)10-15(17)11-14/h9-11,13,16,18H,3-8H2,1-2H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine?
N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.88, 4 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)-cyclohexylmethyl]ethanamine is sourced from PubChem (CID 114980853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).