2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone

C16H23NO — CID 55001981

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(CC(C)C)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-12(2)10-17(15-8-9-15)11-16(18)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKeyASEVORXPUYSQLF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds6

About 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone

2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone (PubChem CID 55001981) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
PubChem CID55001981
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(CC(C)C)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-12(2)10-17(15-8-9-15)11-16(18)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKeyASEVORXPUYSQLF-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone (CID 55001981) is 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN(CC(C)C)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone?
The InChIKey is ASEVORXPUYSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)10-17(15-8-9-15)11-16(18)14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone?
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 55001981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).