[4-[4-(methylamino)phenyl]phenyl]methyl acetate

C16H17NO2 — CID 160628710

IUPAC[4-[4-(methylamino)phenyl]phenyl]methyl acetate
SMILESCNc1ccc(-c2ccc(COC(C)=O)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(18)19-11-13-3-5-14(6-4-13)15-7-9-16(17-2)10-8-15/h3-10,17H,11H2,1-2H3
InChIKeyPRJUCPVPRHEISU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.46
Rot. Bonds4

About [4-[4-(methylamino)phenyl]phenyl]methyl acetate

[4-[4-(methylamino)phenyl]phenyl]methyl acetate (PubChem CID 160628710) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is [4-[4-(methylamino)phenyl]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[4-(methylamino)phenyl]phenyl]methyl acetate
PubChem CID160628710
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name[4-[4-(methylamino)phenyl]phenyl]methyl acetate
SMILESCNc1ccc(-c2ccc(COC(C)=O)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(18)19-11-13-3-5-14(6-4-13)15-7-9-16(17-2)10-8-15/h3-10,17H,11H2,1-2H3
InChIKeyPRJUCPVPRHEISU-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydrazinylphenyl)methyl acetate
CID 123892480
[4-(N-[4-[4-(N-[4-(acetyloxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methyl acetate
CID 21360304
[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
CID 59801354
[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl acetate
CID 70808950
[4-[4-(N-[4-[4-(acetyloxymethyl)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]methyl acetate
CID 14669999
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
CID 142561776
(4-fluorophenyl)methyl acetate
CID 14793785
CID 90816966
CID 90816966
methyl 2-[4-(acetyloxymethyl)phenyl]acetate
CID 14793789
benzyl acetate
CID 8785
[4-(methylamino)phenyl]methyl cyclohexanecarboxylate
CID 167208592

Frequently Asked Questions

What is the IUPAC name of [4-[4-(methylamino)phenyl]phenyl]methyl acetate?
The IUPAC name of [4-[4-(methylamino)phenyl]phenyl]methyl acetate (CID 160628710) is [4-[4-(methylamino)phenyl]phenyl]methyl acetate.
What is the SMILES notation for [4-[4-(methylamino)phenyl]phenyl]methyl acetate?
The canonical SMILES for [4-[4-(methylamino)phenyl]phenyl]methyl acetate is CNc1ccc(-c2ccc(COC(C)=O)cc2)cc1.
What is the InChIKey of [4-[4-(methylamino)phenyl]phenyl]methyl acetate?
The InChIKey is PRJUCPVPRHEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(18)19-11-13-3-5-14(6-4-13)15-7-9-16(17-2)10-8-15/h3-10,17H,11H2,1-2H3.
What are the key properties of [4-[4-(methylamino)phenyl]phenyl]methyl acetate?
[4-[4-(methylamino)phenyl]phenyl]methyl acetate has a molecular weight of 255.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(methylamino)phenyl]phenyl]methyl acetate is sourced from PubChem (CID 160628710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).