3-(benzylamino)propyl benzoate

C17H19NO2 — CID 67562495

IUPAC3-(benzylamino)propyl benzoate
SMILESO=C(OCCCNCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(16-10-5-2-6-11-16)20-13-7-12-18-14-15-8-3-1-4-9-15/h1-6,8-11,18H,7,12-14H2
InChIKeyWKOXLVSZWYTGAE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.02
Rot. Bonds7

About 3-(benzylamino)propyl benzoate

3-(benzylamino)propyl benzoate (PubChem CID 67562495) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(benzylamino)propyl benzoate.

Molecular Properties

Compound Name3-(benzylamino)propyl benzoate
PubChem CID67562495
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(benzylamino)propyl benzoate
SMILESO=C(OCCCNCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(16-10-5-2-6-11-16)20-13-7-12-18-14-15-8-3-1-4-9-15/h1-6,8-11,18H,7,12-14H2
InChIKeyWKOXLVSZWYTGAE-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylethylamino)butyl benzoate
CID 70832782
3-(benzylamino)propyl tert-butyl carbonate
CID 82533606
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
benzyl 4-[(pentylamino)methyl]benzoate
CID 167312129
5-oxopentyl benzoate
CID 569875
11-(methylamino)undecyl benzoate
CID 177292547
(111C)butyl benzoate
CID 11994383
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
methyl 3-[3-(benzylamino)propoxy]propanoate
CID 106940927
2-benzoyloxyethyl benzoate;ethene
CID 67969171
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)propyl benzoate?
The IUPAC name of 3-(benzylamino)propyl benzoate (CID 67562495) is 3-(benzylamino)propyl benzoate.
What is the SMILES notation for 3-(benzylamino)propyl benzoate?
The canonical SMILES for 3-(benzylamino)propyl benzoate is O=C(OCCCNCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzylamino)propyl benzoate?
The InChIKey is WKOXLVSZWYTGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(16-10-5-2-6-11-16)20-13-7-12-18-14-15-8-3-1-4-9-15/h1-6,8-11,18H,7,12-14H2.
What are the key properties of 3-(benzylamino)propyl benzoate?
3-(benzylamino)propyl benzoate has a molecular weight of 269.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)propyl benzoate is sourced from PubChem (CID 67562495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).