1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine

C17H26Cl2N2 — CID 79060882

IUPAC1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(Cc1c(Cl)cccc1Cl)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H26Cl2N2/c1-20-16(12-13-14(18)8-7-9-15(13)19)17(21(2)3)10-5-4-6-11-17/h7-9,16,20H,4-6,10-12H2,1-3H3
InChIKeyLMKUGYBTMXHROD-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.39
Rot. Bonds5

About 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine

1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79060882) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79060882
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(Cc1c(Cl)cccc1Cl)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H26Cl2N2/c1-20-16(12-13-14(18)8-7-9-15(13)19)17(21(2)3)10-5-4-6-11-17/h7-9,16,20H,4-6,10-12H2,1-3H3
InChIKeyLMKUGYBTMXHROD-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chloro-6-fluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070602
1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070452
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine
CID 79080928
1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066885
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 79070291
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919
1-[2-(5-chloro-2-methoxyphenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79058125
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 79060882) is 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine is CNC(Cc1c(Cl)cccc1Cl)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is LMKUGYBTMXHROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-20-16(12-13-14(18)8-7-9-15(13)19)17(21(2)3)10-5-4-6-11-17/h7-9,16,20H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79060882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).