N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine

C17H26ClN — CID 82214367

IUPACN-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine
SMILESCCc1ccc(C(Cl)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C17H26ClN/c1-3-14-9-11-15(12-10-14)17(18)13-19(2)16-7-5-4-6-8-16/h9-12,16-17H,3-8,13H2,1-2H3
InChIKeyIYYQPCODFXVCMZ-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.79
Rot. Bonds5

About N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine

N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine (PubChem CID 82214367) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine
PubChem CID82214367
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine
SMILESCCc1ccc(C(Cl)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C17H26ClN/c1-3-14-9-11-15(12-10-14)17(18)13-19(2)16-7-5-4-6-8-16/h9-12,16-17H,3-8,13H2,1-2H3
InChIKeyIYYQPCODFXVCMZ-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506
N-cyclohexyl-N-ethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 43078748
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
N-butyl-N-[2-chloro-2-(4-ethylphenyl)ethyl]butan-1-amine
CID 82214391
2-N-cyclopentyl-2-N-ethyl-1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 63468460
cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol
CID 82217010

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine?
The IUPAC name of N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine (CID 82214367) is N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine is CCc1ccc(C(Cl)CN(C)C2CCCCC2)cc1.
What is the InChIKey of N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine?
The InChIKey is IYYQPCODFXVCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-14-9-11-15(12-10-14)17(18)13-19(2)16-7-5-4-6-8-16/h9-12,16-17H,3-8,13H2,1-2H3.
What are the key properties of N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine?
N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine has a molecular weight of 279.86 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine is sourced from PubChem (CID 82214367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).