1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C16H24Cl2N2 — CID 79066885

IUPAC1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(c1cccc(Cl)c1Cl)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H24Cl2N2/c1-19-15(12-8-7-9-13(17)14(12)18)16(20(2)3)10-5-4-6-11-16/h7-9,15,19H,4-6,10-11H2,1-3H3
InChIKeyLIXHFRPXWZCNRJ-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds4

About 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066885) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066885
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(c1cccc(Cl)c1Cl)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H24Cl2N2/c1-19-15(12-8-7-9-13(17)14(12)18)16(20(2)3)10-5-4-6-11-16/h7-9,15,19H,4-6,10-11H2,1-3H3
InChIKeyLIXHFRPXWZCNRJ-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 79066063
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
[(2,3-dichlorophenyl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105301693
N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 79066072
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070605
1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070452
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762307

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066885) is 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CNC(c1cccc(Cl)c1Cl)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is LIXHFRPXWZCNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-19-15(12-8-7-9-13(17)14(12)18)16(20(2)3)10-5-4-6-11-16/h7-9,15,19H,4-6,10-11H2,1-3H3.
What are the key properties of 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).