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

C16H25ClN2 — CID 28530508

IUPAC1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CNCc2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C16H25ClN2/c1-19(2)16(9-4-3-5-10-16)13-18-12-14-7-6-8-15(17)11-14/h6-8,11,18H,3-5,9-10,12-13H2,1-2H3
InChIKeyLYRKQBGGSCGCDK-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.69
Rot. Bonds5

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

1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 28530508) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID28530508
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CNCc2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C16H25ClN2/c1-19(2)16(9-4-3-5-10-16)13-18-12-14-7-6-8-15(17)11-14/h6-8,11,18H,3-5,9-10,12-13H2,1-2H3
InChIKeyLYRKQBGGSCGCDK-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103581874
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 79175035
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
CID 79832433
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine (CID 28530508) is 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(CNCc2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is LYRKQBGGSCGCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-19(2)16(9-4-3-5-10-16)13-18-12-14-7-6-8-15(17)11-14/h6-8,11,18H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine?
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 28530508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).