4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine

C13H17Cl2N — CID 71165661

IUPAC4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCC(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H17Cl2N/c14-12-2-1-3-13(15)11(12)8-9-4-6-10(16)7-5-9/h1-3,9-10H,4-8,16H2
InChIKeyALHDPGRFTLWOPH-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.05
Rot. Bonds2

About 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine

4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 71165661) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID71165661
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCC(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H17Cl2N/c14-12-2-1-3-13(15)11(12)8-9-4-6-10(16)7-5-9/h1-3,9-10H,4-8,16H2
InChIKeyALHDPGRFTLWOPH-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025336
3-[(2,6-dichlorophenyl)methyl]azetidine
CID 16780191
2-chloro-6-(cyclopropylmethyl)aniline
CID 105439830
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
1-chloro-3-[(2,6-dichlorophenyl)methyl]cycloheptane
CID 64509532
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine
CID 107306212
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
CID 64513208
4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79122016
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
CID 81014810

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine (CID 71165661) is 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine is NC1CCC(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is ALHDPGRFTLWOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-12-2-1-3-13(15)11(12)8-9-4-6-10(16)7-5-9/h1-3,9-10H,4-8,16H2.
What are the key properties of 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine?
4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 71165661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).