4-(N-methylanilino)pentan-2-one

C12H17NO — CID 64697699

IUPAC4-(N-methylanilino)pentan-2-one
SMILESCC(=O)CC(C)N(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(9-11(2)14)13(3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyMFJWXEBPRFPUDQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.49
Rot. Bonds4

About 4-(N-methylanilino)pentan-2-one

4-(N-methylanilino)pentan-2-one (PubChem CID 64697699) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(N-methylanilino)pentan-2-one.

Molecular Properties

Compound Name4-(N-methylanilino)pentan-2-one
PubChem CID64697699
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(N-methylanilino)pentan-2-one
SMILESCC(=O)CC(C)N(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(9-11(2)14)13(3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyMFJWXEBPRFPUDQ-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylanilino)butanoic acid
CID 72755664
3-(4-bromo-N-methylanilino)butanoic acid
CID 82123920
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056439
3-(N,3-dimethylanilino)butanoic acid
CID 82112997
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
4-diphenylphosphorylpentan-2-one
CID 13202508
4-amino-2-(N-methylanilino)-4-oxobutanoic acid
CID 175035454
N,3-dimethyl-N-phenylpentanamide
CID 147359069
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
2-[N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65059237
3-methyl-4-(N-methylanilino)butan-2-one
CID 174632669
4-diphenylphosphinothioylpentan-2-one
CID 134862641

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)pentan-2-one?
The IUPAC name of 4-(N-methylanilino)pentan-2-one (CID 64697699) is 4-(N-methylanilino)pentan-2-one.
What is the SMILES notation for 4-(N-methylanilino)pentan-2-one?
The canonical SMILES for 4-(N-methylanilino)pentan-2-one is CC(=O)CC(C)N(C)c1ccccc1.
What is the InChIKey of 4-(N-methylanilino)pentan-2-one?
The InChIKey is MFJWXEBPRFPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(9-11(2)14)13(3)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-(N-methylanilino)pentan-2-one?
4-(N-methylanilino)pentan-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)pentan-2-one is sourced from PubChem (CID 64697699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).