N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine

C14H19Cl2N — CID 65316304

IUPACN-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N/c1-10-2-5-13(6-3-10)17-9-11-8-12(15)4-7-14(11)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3
InChIKeyPVWGMAJADLXWKT-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.66
Rot. Bonds3

About N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine

N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 65316304) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID65316304
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N/c1-10-2-5-13(6-3-10)17-9-11-8-12(15)4-7-14(11)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3
InChIKeyPVWGMAJADLXWKT-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 65317315
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692
N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 65317346
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023564
N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine (CID 65316304) is N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(NCc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is PVWGMAJADLXWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10-2-5-13(6-3-10)17-9-11-8-12(15)4-7-14(11)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65316304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).