1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine

C17H25Cl2N — CID 58954918

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-4-16(20(2)3)17(10-6-5-7-11-17)13-8-9-14(18)15(19)12-13/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKeyZJAQALVESRZXBW-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.54
Rot. Bonds4

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine

1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine (PubChem CID 58954918) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine
PubChem CID58954918
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C17H25Cl2N/c1-4-16(20(2)3)17(10-6-5-7-11-17)13-8-9-14(18)15(19)12-13/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKeyZJAQALVESRZXBW-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine (CID 58954918) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine is CCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZJAQALVESRZXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-4-16(20(2)3)17(10-6-5-7-11-17)13-8-9-14(18)15(19)12-13/h8-9,12,16H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine?
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 58954918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).