2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine

C18H27Cl2N — CID 63401618

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C18H27Cl2N/c1-3-6-13-9-10-18(21-4-2)14(11-13)12-15-16(19)7-5-8-17(15)20/h5,7-8,13-14,18,21H,3-4,6,9-12H2,1-2H3
InChIKeyZAZRCDNKAQFIPR-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.73
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine

2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine (PubChem CID 63401618) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
PubChem CID63401618
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C18H27Cl2N/c1-3-6-13-9-10-18(21-4-2)14(11-13)12-15-16(19)7-5-8-17(15)20/h5,7-8,13-14,18,21H,3-4,6,9-12H2,1-2H3
InChIKeyZAZRCDNKAQFIPR-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
CID 107307078
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
1-chloro-2-[(2-chloro-5-propylcyclohexyl)methyl]-3-nitrobenzene
CID 63747195
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 64629453
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
CID 113473890
2-benzyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403724
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine (CID 63401618) is 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine?
The InChIKey is ZAZRCDNKAQFIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-3-6-13-9-10-18(21-4-2)14(11-13)12-15-16(19)7-5-8-17(15)20/h5,7-8,13-14,18,21H,3-4,6,9-12H2,1-2H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine?
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63401618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).