1-anilinopropan-2-yl benzoate

C16H17NO2 — CID 10377664

IUPAC1-anilinopropan-2-yl benzoate
SMILESCC(CNc1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyQGJMJUNTCKBWCJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.34
Rot. Bonds5

About 1-anilinopropan-2-yl benzoate

1-anilinopropan-2-yl benzoate (PubChem CID 10377664) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-anilinopropan-2-yl benzoate.

Molecular Properties

Compound Name1-anilinopropan-2-yl benzoate
PubChem CID10377664
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-anilinopropan-2-yl benzoate
SMILESCC(CNc1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyQGJMJUNTCKBWCJ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-anilinopropan-2-yl benzoate?
The IUPAC name of 1-anilinopropan-2-yl benzoate (CID 10377664) is 1-anilinopropan-2-yl benzoate.
What is the SMILES notation for 1-anilinopropan-2-yl benzoate?
The canonical SMILES for 1-anilinopropan-2-yl benzoate is CC(CNc1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of 1-anilinopropan-2-yl benzoate?
The InChIKey is QGJMJUNTCKBWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3.
What are the key properties of 1-anilinopropan-2-yl benzoate?
1-anilinopropan-2-yl benzoate has a molecular weight of 255.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinopropan-2-yl benzoate is sourced from PubChem (CID 10377664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).