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

C13H16Cl3N — CID 65026126

IUPAC2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESClc1ccc(CNC2CCCCC2Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl3N/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h5-7,11,13,17H,1-4,8H2
InChIKeyVGMISHAFYKWASJ-UHFFFAOYSA-N
MW292.64 g/mol
LogP4.63
Rot. Bonds3

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

2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 65026126) has the molecular formula C13H16Cl3N and a molecular weight of 292.64 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID65026126
Molecular FormulaC13H16Cl3N
Molecular Weight292.64 g/mol
Exact Mass291.03
IUPAC Name2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESClc1ccc(CNC2CCCCC2Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl3N/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h5-7,11,13,17H,1-4,8H2
InChIKeyVGMISHAFYKWASJ-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 114349118
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
N-[(2,4-dichlorophenyl)methyl]thietan-3-amine
CID 130679532
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2849596
1-N,2-N-bis[(3-chlorophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040602
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine (CID 65026126) is 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine is Clc1ccc(CNC2CCCCC2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is VGMISHAFYKWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h5-7,11,13,17H,1-4,8H2.
What are the key properties of 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 292.64 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65026126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).