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

C13H16Cl3N — CID 65024511

IUPAC2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESClc1cccc(Cl)c1CNC1CCCCC1Cl
InChIInChI=1S/C13H16Cl3N/c14-10-5-3-6-11(15)9(10)8-17-13-7-2-1-4-12(13)16/h3,5-6,12-13,17H,1-2,4,7-8H2
InChIKeyWSDOMIVQAZSVNV-UHFFFAOYSA-N
MW292.64 g/mol
LogP4.63
Rot. Bonds3

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

2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 65024511) has the molecular formula C13H16Cl3N and a molecular weight of 292.64 g/mol. Its IUPAC name is 2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID65024511
Molecular FormulaC13H16Cl3N
Molecular Weight292.64 g/mol
Exact Mass291.03
IUPAC Name2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESClc1cccc(Cl)c1CNC1CCCCC1Cl
InChIInChI=1S/C13H16Cl3N/c14-10-5-3-6-11(15)9(10)8-17-13-7-2-1-4-12(13)16/h3,5-6,12-13,17H,1-2,4,7-8H2
InChIKeyWSDOMIVQAZSVNV-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-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65026126
2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 65025555
2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65025495
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 130751518
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine (CID 65024511) is 2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine is Clc1cccc(Cl)c1CNC1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is WSDOMIVQAZSVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N/c14-10-5-3-6-11(15)9(10)8-17-13-7-2-1-4-12(13)16/h3,5-6,12-13,17H,1-2,4,7-8H2.
What are the key properties of 2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine?
2-chloro-N-[(2,6-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-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65024511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).