4-(methylamino)-6-phenylhexan-2-one

C13H19NO — CID 10420495

IUPAC4-(methylamino)-6-phenylhexan-2-one
SMILESCNC(CCc1ccccc1)CC(C)=O
InChIInChI=1S/C13H19NO/c1-11(15)10-13(14-2)9-8-12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3
InChIKeyRRLUUXZSNKETPK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.19
Rot. Bonds6

About 4-(methylamino)-6-phenylhexan-2-one

4-(methylamino)-6-phenylhexan-2-one (PubChem CID 10420495) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(methylamino)-6-phenylhexan-2-one.

Molecular Properties

Compound Name4-(methylamino)-6-phenylhexan-2-one
PubChem CID10420495
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(methylamino)-6-phenylhexan-2-one
SMILESCNC(CCc1ccccc1)CC(C)=O
InChIInChI=1S/C13H19NO/c1-11(15)10-13(14-2)9-8-12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3
InChIKeyRRLUUXZSNKETPK-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
CID 59877545
CID 59877545
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide
CID 145164084
ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851
methyl 4-oxo-2-(2-phenylethyl)pentanoate
CID 100937736
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
(1R)-1-(methylamino)-3-phenylpropan-1-ol
CID 67675162
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-6-phenylhexan-2-one?
The IUPAC name of 4-(methylamino)-6-phenylhexan-2-one (CID 10420495) is 4-(methylamino)-6-phenylhexan-2-one.
What is the SMILES notation for 4-(methylamino)-6-phenylhexan-2-one?
The canonical SMILES for 4-(methylamino)-6-phenylhexan-2-one is CNC(CCc1ccccc1)CC(C)=O.
What is the InChIKey of 4-(methylamino)-6-phenylhexan-2-one?
The InChIKey is RRLUUXZSNKETPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(15)10-13(14-2)9-8-12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3.
What are the key properties of 4-(methylamino)-6-phenylhexan-2-one?
4-(methylamino)-6-phenylhexan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-6-phenylhexan-2-one is sourced from PubChem (CID 10420495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).