4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine

C18H27Cl2N — CID 60663519

IUPAC4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCC(C(C)(C)C)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H27Cl2N/c1-12(16-10-7-14(19)11-17(16)20)21-15-8-5-13(6-9-15)18(2,3)4/h7,10-13,15,21H,5-6,8-9H2,1-4H3
InChIKeyVWEOIHQPCJFUIP-UHFFFAOYSA-N
MW328.33 g/mol
LogP6.25
Rot. Bonds3

About 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine

4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine (PubChem CID 60663519) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
PubChem CID60663519
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC Name4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCC(C(C)(C)C)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H27Cl2N/c1-12(16-10-7-14(19)11-17(16)20)21-15-8-5-13(6-9-15)18(2,3)4/h7,10-13,15,21H,5-6,8-9H2,1-4H3
InChIKeyVWEOIHQPCJFUIP-UHFFFAOYSA-N
XLogP6.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
4-tert-butyl-N-[1-(2-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089807
4-tert-butyl-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexan-1-amine
CID 29045070
4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine
CID 63448931
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427902
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 82774115

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine (CID 60663519) is 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine is CC(NC1CCC(C(C)(C)C)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is VWEOIHQPCJFUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-12(16-10-7-14(19)11-17(16)20)21-15-8-5-13(6-9-15)18(2,3)4/h7,10-13,15,21H,5-6,8-9H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine?
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 60663519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).