1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone

C15H21NO — CID 55002410

IUPAC1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(CC(C)C)C1CC1
InChIInChI=1S/C15H21NO/c1-11(2)10-16(13-8-9-13)15-7-5-4-6-14(15)12(3)17/h4-7,11,13H,8-10H2,1-3H3
InChIKeyONLFQQOFMBRGFI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.51
Rot. Bonds5

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

1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone (PubChem CID 55002410) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone
PubChem CID55002410
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(CC(C)C)C1CC1
InChIInChI=1S/C15H21NO/c1-11(2)10-16(13-8-9-13)15-7-5-4-6-14(15)12(3)17/h4-7,11,13H,8-10H2,1-3H3
InChIKeyONLFQQOFMBRGFI-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone
CID 64520568
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
1-[2-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanone
CID 79483626
4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid
CID 63537181
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
2-[cyclopropyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62703034
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
N-(2-acetylphenyl)-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 43065753
1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 55005375
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone (CID 55002410) is 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone is CC(=O)c1ccccc1N(CC(C)C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone?
The InChIKey is ONLFQQOFMBRGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)10-16(13-8-9-13)15-7-5-4-6-14(15)12(3)17/h4-7,11,13H,8-10H2,1-3H3.
What are the key properties of 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone?
1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone is sourced from PubChem (CID 55002410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).