3-(2-phenylpropylamino)benzoic acid

C16H17NO2 — CID 43139349

IUPAC3-(2-phenylpropylamino)benzoic acid
SMILESCC(CNc1cccc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-12(13-6-3-2-4-7-13)11-17-15-9-5-8-14(10-15)16(18)19/h2-10,12,17H,11H2,1H3,(H,18,19)
InChIKeyRRRINFWCTVGLSY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.60
Rot. Bonds5

About 3-(2-phenylpropylamino)benzoic acid

3-(2-phenylpropylamino)benzoic acid (PubChem CID 43139349) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2-phenylpropylamino)benzoic acid.

Molecular Properties

Compound Name3-(2-phenylpropylamino)benzoic acid
PubChem CID43139349
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(2-phenylpropylamino)benzoic acid
SMILESCC(CNc1cccc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-12(13-6-3-2-4-7-13)11-17-15-9-5-8-14(10-15)16(18)19/h2-10,12,17H,11H2,1H3,(H,18,19)
InChIKeyRRRINFWCTVGLSY-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2-phenylpropylamino)benzoate
CID 43321749
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
4-fluoro-3-(2-phenylpropylamino)benzoic acid
CID 43728030
3-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 102823229
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline
CID 60943830
1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone
CID 20716181
N-methyl-3-[[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl]amino]benzamide
CID 95302647
3-(methylsulfonylmethylamino)benzoic acid
CID 68815004
3-(2-phenylethylamino)benzoic acid
CID 43139401
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
CID 47033148

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropylamino)benzoic acid?
The IUPAC name of 3-(2-phenylpropylamino)benzoic acid (CID 43139349) is 3-(2-phenylpropylamino)benzoic acid.
What is the SMILES notation for 3-(2-phenylpropylamino)benzoic acid?
The canonical SMILES for 3-(2-phenylpropylamino)benzoic acid is CC(CNc1cccc(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropylamino)benzoic acid?
The InChIKey is RRRINFWCTVGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(13-6-3-2-4-7-13)11-17-15-9-5-8-14(10-15)16(18)19/h2-10,12,17H,11H2,1H3,(H,18,19).
What are the key properties of 3-(2-phenylpropylamino)benzoic acid?
3-(2-phenylpropylamino)benzoic acid has a molecular weight of 255.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropylamino)benzoic acid is sourced from PubChem (CID 43139349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).