2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine

C15H25N — CID 62596445

IUPAC2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1cc(C)cc(C(C)(C)CNC(C)C)c1
InChIInChI=1S/C15H25N/c1-11(2)16-10-15(5,6)14-8-12(3)7-13(4)9-14/h7-9,11,16H,10H2,1-6H3
InChIKeyJUUGXRBQIBHRBK-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.58
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine

2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62596445) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62596445
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1cc(C)cc(C(C)(C)CNC(C)C)c1
InChIInChI=1S/C15H25N/c1-11(2)16-10-15(5,6)14-8-12(3)7-13(4)9-14/h7-9,11,16H,10H2,1-6H3
InChIKeyJUUGXRBQIBHRBK-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 62596445) is 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine is Cc1cc(C)cc(C(C)(C)CNC(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is JUUGXRBQIBHRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)16-10-15(5,6)14-8-12(3)7-13(4)9-14/h7-9,11,16H,10H2,1-6H3.
What are the key properties of 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62596445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).