N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine

C15H21Cl2N — CID 60788665

IUPACN-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cc(Cl)cc(Cl)c2)C1C
InChIInChI=1S/C15H21Cl2N/c1-10-4-3-5-15(11(10)2)18-9-12-6-13(16)8-14(17)7-12/h6-8,10-11,15,18H,3-5,9H2,1-2H3
InChIKeyDCZDFQQFCDROGO-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.91
Rot. Bonds3

About N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine

N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 60788665) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID60788665
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cc(Cl)cc(Cl)c2)C1C
InChIInChI=1S/C15H21Cl2N/c1-10-4-3-5-15(11(10)2)18-9-12-6-13(16)8-14(17)7-12/h6-8,10-11,15,18H,3-5,9H2,1-2H3
InChIKeyDCZDFQQFCDROGO-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43220867
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121479
4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64763111

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 60788665) is N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NCc2cc(Cl)cc(Cl)c2)C1C.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is DCZDFQQFCDROGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10-4-3-5-15(11(10)2)18-9-12-6-13(16)8-14(17)7-12/h6-8,10-11,15,18H,3-5,9H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 60788665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).