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

C15H19NO — CID 64520568

IUPAC1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(CC1CC1)C1CC1
InChIInChI=1S/C15H19NO/c1-11(17)14-4-2-3-5-15(14)16(13-8-9-13)10-12-6-7-12/h2-5,12-13H,6-10H2,1H3
InChIKeyGKGPOOQIQOYWFX-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.27
Rot. Bonds5

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

1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone (PubChem CID 64520568) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone
PubChem CID64520568
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N(CC1CC1)C1CC1
InChIInChI=1S/C15H19NO/c1-11(17)14-4-2-3-5-15(14)16(13-8-9-13)10-12-6-7-12/h2-5,12-13H,6-10H2,1H3
InChIKeyGKGPOOQIQOYWFX-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[cyclopropyl(2-methylpropyl)amino]phenyl]ethanone
CID 55002410
4-acetyl-3-[cyclopropyl(cyclopropylmethyl)amino]benzonitrile
CID 113372790
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-nitrophenyl]ethanone
CID 64520771
1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
CID 63711871
2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline
CID 64522590
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 55005375
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 63711171
2-[cyclopropyl(cyclopropylmethyl)amino]-5-methylbenzenecarbothioamide
CID 107929043
N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)propyl]aniline
CID 112678176
2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116376

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone (CID 64520568) is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone is CC(=O)c1ccccc1N(CC1CC1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone?
The InChIKey is GKGPOOQIQOYWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(17)14-4-2-3-5-15(14)16(13-8-9-13)10-12-6-7-12/h2-5,12-13H,6-10H2,1H3.
What are the key properties of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone?
1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone has a molecular weight of 229.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone is sourced from PubChem (CID 64520568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).