1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine

C13H17Cl2N — CID 63408172

IUPAC1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N/c1-9-4-2-3-7-13(9,16)11-8-10(14)5-6-12(11)15/h5-6,8-9H,2-4,7,16H2,1H3
InChIKeyQFMUDLFFOJQNDR-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.36
Rot. Bonds1

About 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine

1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine (PubChem CID 63408172) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine
PubChem CID63408172
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N/c1-9-4-2-3-7-13(9,16)11-8-10(14)5-6-12(11)15/h5-6,8-9H,2-4,7,16H2,1H3
InChIKeyQFMUDLFFOJQNDR-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine (CID 63408172) is 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine is CC1CCCCC1(N)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine?
The InChIKey is QFMUDLFFOJQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-9-4-2-3-7-13(9,16)11-8-10(14)5-6-12(11)15/h5-6,8-9H,2-4,7,16H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine?
1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 63408172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).