N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine

C15H20Cl3N — CID 65318354

IUPACN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
SMILESClCCN(Cc1cc(Cl)ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H20Cl3N/c16-8-9-19(14-4-2-1-3-5-14)11-12-10-13(17)6-7-15(12)18/h6-7,10,14H,1-5,8-9,11H2
InChIKeyJEZIWCQQSGNGGR-UHFFFAOYSA-N
MW320.69 g/mol
LogP5.37
Rot. Bonds5

About N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine

N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine (PubChem CID 65318354) has the molecular formula C15H20Cl3N and a molecular weight of 320.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
PubChem CID65318354
Molecular FormulaC15H20Cl3N
Molecular Weight320.69 g/mol
Exact Mass319.07
IUPAC NameN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
SMILESClCCN(Cc1cc(Cl)ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H20Cl3N/c16-8-9-19(14-4-2-1-3-5-14)11-12-10-13(17)6-7-15(12)18/h6-7,10,14H,1-5,8-9,11H2
InChIKeyJEZIWCQQSGNGGR-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.69
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050095
N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine
CID 66568165
N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
CID 63389670
N-(2-bromoethyl)-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexanamine
CID 102620191
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
N-(3-bromopropyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050093
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]cyclopropanamine
CID 63387371
N-(2-chloroethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclopropanamine
CID 63387646
N-(2-bromoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclopropanamine
CID 103050016
2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 79580074
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine (CID 65318354) is N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine is ClCCN(Cc1cc(Cl)ccc1Cl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine?
The InChIKey is JEZIWCQQSGNGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl3N/c16-8-9-19(14-4-2-1-3-5-14)11-12-10-13(17)6-7-15(12)18/h6-7,10,14H,1-5,8-9,11H2.
What are the key properties of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine?
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine has a molecular weight of 320.69 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine is sourced from PubChem (CID 65318354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).