3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one

C16H17NO2 — CID 53446398

IUPAC3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one
SMILESO=C(CCNCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H17NO2/c18-15-8-4-7-14(11-15)16(19)9-10-17-12-13-5-2-1-3-6-13/h1-8,11,17-18H,9-10,12H2
InChIKeyYWAWAWLKIDBLMZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.75
Rot. Bonds6

About 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one

3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one (PubChem CID 53446398) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one
PubChem CID53446398
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one
SMILESO=C(CCNCc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H17NO2/c18-15-8-4-7-14(11-15)16(19)9-10-17-12-13-5-2-1-3-6-13/h1-8,11,17-18H,9-10,12H2
InChIKeyYWAWAWLKIDBLMZ-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one
CID 71326148
1-(3-hydroxyphenyl)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]propan-1-one;hydrochloride
CID 122190812
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-(3-hydroxyphenyl)-3-oxopropanal
CID 115012898
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
benzyl 3-hydroxybenzoate
CID 11736317
3-[(4-chlorophenyl)methylamino]-1-(3-hydroxy-5-methoxyphenyl)propan-1-one
CID 110175511
3-(2-chloroethylamino)-1-phenylpropan-1-one
CID 2047021
3-(propylaminomethyl)phenol
CID 10725714
3-[[4-[(2-carboxyethylamino)methyl]phenyl]methylamino]propanoic acid
CID 68738006
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one?
The IUPAC name of 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one (CID 53446398) is 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one?
The canonical SMILES for 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one is O=C(CCNCc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one?
The InChIKey is YWAWAWLKIDBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15-8-4-7-14(11-15)16(19)9-10-17-12-13-5-2-1-3-6-13/h1-8,11,17-18H,9-10,12H2.
What are the key properties of 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one?
3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 53446398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).