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4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine

C17H28N2 — CID 116907238

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(c2ccccc2C)N(C)C)CC1
InChIInChI=1S/C17H28N2/c1-13-7-5-6-8-16(13)17(19(3)4)14-9-11-15(18-2)12-10-14/h5-8,14-15,17-18H,9-12H2,1-4H3
InChIKeyAHGYZERXULJDLA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds4

About 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine

4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116907238) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116907238
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(c2ccccc2C)N(C)C)CC1
InChIInChI=1S/C17H28N2/c1-13-7-5-6-8-16(13)17(19(3)4)14-9-11-15(18-2)12-10-14/h5-8,14-15,17-18H,9-12H2,1-4H3
InChIKeyAHGYZERXULJDLA-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 116907238) is 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(c2ccccc2C)N(C)C)CC1.
What is the InChIKey of 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is AHGYZERXULJDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-7-5-6-8-16(13)17(19(3)4)14-9-11-15(18-2)12-10-14/h5-8,14-15,17-18H,9-12H2,1-4H3.
What are the key properties of 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine?
4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116907238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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