[2-(benzylamino)phenyl]methyl acetate

C16H17NO2 — CID 174839989

IUPAC[2-(benzylamino)phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1NCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(18)19-12-15-9-5-6-10-16(15)17-11-14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3
InChIKeyDAQRSKWGRFGGGI-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.36
Rot. Bonds5

About [2-(benzylamino)phenyl]methyl acetate

[2-(benzylamino)phenyl]methyl acetate (PubChem CID 174839989) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is [2-(benzylamino)phenyl]methyl acetate.

Molecular Properties

Compound Name[2-(benzylamino)phenyl]methyl acetate
PubChem CID174839989
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name[2-(benzylamino)phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1NCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(18)19-12-15-9-5-6-10-16(15)17-11-14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3
InChIKeyDAQRSKWGRFGGGI-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(methoxymethyl)aniline
CID 43677932
1-[2-(benzylamino)phenyl]-3-phenylpropan-2-one
CID 157431999
benzyl acetate
CID 8785
3-[2-(benzylamino)phenyl]prop-2-ynyl acetate
CID 126521239
benzyl acetate;molecular nitrogen
CID 174861862
N-benzyl-2-(chloromethyl)aniline
CID 15078992
benzyl acetate;carbamic acid
CID 159542161
[2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]phenyl]methyl acetate
CID 142784837
[2-[2-(benzylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
CID 2801931
4-[(2-ethylanilino)methyl]benzamide
CID 28583374
benzyl acetate;formonitrile
CID 175329925
(2S)-5-[2-(acetyloxymethyl)anilino]-2-amino-5-oxopentanoic acid
CID 155427318

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)phenyl]methyl acetate?
The IUPAC name of [2-(benzylamino)phenyl]methyl acetate (CID 174839989) is [2-(benzylamino)phenyl]methyl acetate.
What is the SMILES notation for [2-(benzylamino)phenyl]methyl acetate?
The canonical SMILES for [2-(benzylamino)phenyl]methyl acetate is CC(=O)OCc1ccccc1NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)phenyl]methyl acetate?
The InChIKey is DAQRSKWGRFGGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(18)19-12-15-9-5-6-10-16(15)17-11-14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3.
What are the key properties of [2-(benzylamino)phenyl]methyl acetate?
[2-(benzylamino)phenyl]methyl acetate has a molecular weight of 255.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)phenyl]methyl acetate is sourced from PubChem (CID 174839989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).