N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine

C17H25Cl2N — CID 82933166

IUPACN-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNCC(c1c(Cl)cccc1Cl)C1CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-2-11-20-12-14(13-7-4-3-5-8-13)17-15(18)9-6-10-16(17)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3
InChIKeyJXEJSOAWLSSRHB-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.66
Rot. Bonds6

About N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine

N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine (PubChem CID 82933166) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
PubChem CID82933166
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
SMILESCCCNCC(c1c(Cl)cccc1Cl)C1CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-2-11-20-12-14(13-7-4-3-5-8-13)17-15(18)9-6-10-16(17)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3
InChIKeyJXEJSOAWLSSRHB-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 82933922
N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
CID 82936979
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 82937282
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 82925286
2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82936076
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine
CID 104819486
1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 115778747

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine (CID 82933166) is N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine is CCCNCC(c1c(Cl)cccc1Cl)C1CCCCC1.
What is the InChIKey of N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine?
The InChIKey is JXEJSOAWLSSRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-2-11-20-12-14(13-7-4-3-5-8-13)17-15(18)9-6-10-16(17)19/h6,9-10,13-14,20H,2-5,7-8,11-12H2,1H3.
What are the key properties of N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine?
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 82933166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).