2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone

C15H19F2NO — CID 55001742

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
SMILESCC(C)CN(CC(=O)c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C15H19F2NO/c1-10(2)8-18(12-4-5-12)9-15(19)13-7-11(16)3-6-14(13)17/h3,6-7,10,12H,4-5,8-9H2,1-2H3
InChIKeyDDLAIHNTZJPNIM-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.27
Rot. Bonds6

About 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone

2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone (PubChem CID 55001742) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
PubChem CID55001742
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
SMILESCC(C)CN(CC(=O)c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C15H19F2NO/c1-10(2)8-18(12-4-5-12)9-15(19)13-7-11(16)3-6-14(13)17/h3,6-7,10,12H,4-5,8-9H2,1-2H3
InChIKeyDDLAIHNTZJPNIM-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)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

2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 102864457
2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
CID 55001836
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 55002176
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 55002081
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-5-fluorobenzenecarbothioamide
CID 55172130
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone
CID 78974150
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329
3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]-5-fluorophenyl]prop-2-enoic acid
CID 76911897

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone (CID 55001742) is 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone is CC(C)CN(CC(=O)c1cc(F)ccc1F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone?
The InChIKey is DDLAIHNTZJPNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-10(2)8-18(12-4-5-12)9-15(19)13-7-11(16)3-6-14(13)17/h3,6-7,10,12H,4-5,8-9H2,1-2H3.
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone?
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.27, 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-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 55001742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).