2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C19H31N — CID 63401728

IUPAC2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1cc(C)ccc1C
InChIInChI=1S/C19H31N/c1-13(2)16-8-9-19(20-5)18(11-16)12-17-10-14(3)6-7-15(17)4/h6-7,10,13,16,18-20H,8-9,11-12H2,1-5H3
InChIKeyPNSYEZRNSFEOET-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.51
Rot. Bonds4

About 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63401728) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63401728
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1cc(C)ccc1C
InChIInChI=1S/C19H31N/c1-13(2)16-8-9-19(20-5)18(11-16)12-17-10-14(3)6-7-15(17)4/h6-7,10,13,16,18-20H,8-9,11-12H2,1-5H3
InChIKeyPNSYEZRNSFEOET-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 63401728) is 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1Cc1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is PNSYEZRNSFEOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-13(2)16-8-9-19(20-5)18(11-16)12-17-10-14(3)6-7-15(17)4/h6-7,10,13,16,18-20H,8-9,11-12H2,1-5H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63401728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).