N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine

C18H27Cl2N — CID 107427902

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NC(C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H27Cl2N/c1-12(2)9-14-5-4-6-16(10-14)21-13(3)17-8-7-15(19)11-18(17)20/h7-8,11-14,16,21H,4-6,9-10H2,1-3H3
InChIKeyDMBGSIFRGZFWEY-UHFFFAOYSA-N
MW328.33 g/mol
LogP6.25
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine

N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107427902) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107427902
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NC(C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H27Cl2N/c1-12(2)9-14-5-4-6-16(10-14)21-13(3)17-8-7-15(19)11-18(17)20/h7-8,11-14,16,21H,4-6,9-10H2,1-3H3
InChIKeyDMBGSIFRGZFWEY-UHFFFAOYSA-N
XLogP6.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470
2,5-dichloro-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427839
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317718
4-chloro-2-methyl-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427949
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428628
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 82774818
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107427902) is N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NC(C)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is DMBGSIFRGZFWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-12(2)9-14-5-4-6-16(10-14)21-13(3)17-8-7-15(19)11-18(17)20/h7-8,11-14,16,21H,4-6,9-10H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107427902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).