1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one

C17H23F2NO — CID 61446211

IUPAC1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCCC(N(C)C(C)C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H23F2NO/c1-11-5-4-6-14(9-11)20(3)12(2)17(21)13-7-8-15(18)16(19)10-13/h7-8,10-12,14H,4-6,9H2,1-3H3
InChIKeyZWTFRMFWCMIMRX-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.05
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one

1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one (PubChem CID 61446211) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one
PubChem CID61446211
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCCC(N(C)C(C)C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H23F2NO/c1-11-5-4-6-14(9-11)20(3)12(2)17(21)13-7-8-15(18)16(19)10-13/h7-8,10-12,14H,4-6,9H2,1-3H3
InChIKeyZWTFRMFWCMIMRX-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]propan-1-one
CID 63568414
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
4-fluoro-N,3-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 63213240
4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982074
4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide
CID 107024734
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one
CID 61451909
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
[1-(3,4-difluorophenyl)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 167836585
1-(3,4-difluorophenyl)-2-[methyl(2-methylbutyl)amino]propan-1-one
CID 43796194
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
cyclobutyl 3,4-difluorobenzoate
CID 174934695

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one (CID 61446211) is 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one is CC1CCCC(N(C)C(C)C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one?
The InChIKey is ZWTFRMFWCMIMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-11-5-4-6-14(9-11)20(3)12(2)17(21)13-7-8-15(18)16(19)10-13/h7-8,10-12,14H,4-6,9H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one?
1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one has a molecular weight of 295.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one is sourced from PubChem (CID 61446211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).