2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine

C18H27Cl2N — CID 64765920

IUPAC2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H27Cl2N/c1-12-5-7-14(17(9-12)21-4)18(2,3)11-13-6-8-15(19)16(20)10-13/h6,8,10,12,14,17,21H,5,7,9,11H2,1-4H3
InChIKeyNNUWENIJDONNQF-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.59
Rot. Bonds4

About 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine

2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine (PubChem CID 64765920) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
PubChem CID64765920
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC Name2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H27Cl2N/c1-12-5-7-14(17(9-12)21-4)18(2,3)11-13-6-8-15(19)16(20)10-13/h6,8,10,12,14,17,21H,5,7,9,11H2,1-4H3
InChIKeyNNUWENIJDONNQF-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine (CID 64765920) is 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine is CNC1CC(C)CCC1C(C)(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The InChIKey is NNUWENIJDONNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-12-5-7-14(17(9-12)21-4)18(2,3)11-13-6-8-15(19)16(20)10-13/h6,8,10,12,14,17,21H,5,7,9,11H2,1-4H3.
What are the key properties of 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine?
2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64765920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).