1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one

C11H15NO2 — CID 142257739

IUPAC1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)CO)cc1
InChIInChI=1S/C11H15NO2/c1-3-11(14)9-4-6-10(7-5-9)12(2)8-13/h4-7,13H,3,8H2,1-2H3
InChIKeyHBPNYKHNIGZUIL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.67
Rot. Bonds4

About 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one

1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one (PubChem CID 142257739) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one
PubChem CID142257739
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)CO)cc1
InChIInChI=1S/C11H15NO2/c1-3-11(14)9-4-6-10(7-5-9)12(2)8-13/h4-7,13H,3,8H2,1-2H3
InChIKeyHBPNYKHNIGZUIL-UHFFFAOYSA-N
XLogP1.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one
CID 114065864
1-[4-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 114065802
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
N-methyl-N-(4-propanoylphenyl)ethanimidamide
CID 165395416
1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 114065834
2-(N-methylanilino)ethyl 4-propanoylbenzoate
CID 59444962
1-(4-aminophenyl)propan-1-one
CID 6270
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
1-phenyl(111C)propan-1-one
CID 11159350
1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
CID 161301580

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one?
The IUPAC name of 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one (CID 142257739) is 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one is CCC(=O)c1ccc(N(C)CO)cc1.
What is the InChIKey of 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one?
The InChIKey is HBPNYKHNIGZUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-11(14)9-4-6-10(7-5-9)12(2)8-13/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one?
1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxymethyl(methyl)amino]phenyl]propan-1-one is sourced from PubChem (CID 142257739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).