2-(3-phenylbutylamino)benzoic acid

C17H19NO2 — CID 63423081

IUPAC2-(3-phenylbutylamino)benzoic acid
SMILESCC(CCNc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)11-12-18-16-10-6-5-9-15(16)17(19)20/h2-10,13,18H,11-12H2,1H3,(H,19,20)
InChIKeyJZBQUSZFEYEPQE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.99
Rot. Bonds6

About 2-(3-phenylbutylamino)benzoic acid

2-(3-phenylbutylamino)benzoic acid (PubChem CID 63423081) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-phenylbutylamino)benzoic acid.

Molecular Properties

Compound Name2-(3-phenylbutylamino)benzoic acid
PubChem CID63423081
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3-phenylbutylamino)benzoic acid
SMILESCC(CCNc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)11-12-18-16-10-6-5-9-15(16)17(19)20/h2-10,13,18H,11-12H2,1H3,(H,19,20)
InChIKeyJZBQUSZFEYEPQE-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylbutyl)-2-propylaniline
CID 63434100
2-(2-methylsulfonylethylamino)benzoic acid
CID 62230522
2-(tetradecylamino)benzoic acid
CID 15090293
3-bromo-2-methyl-N-(3-phenylbutyl)aniline
CID 107630204
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
2-(ethylamino)-N-(2-phenylpropyl)benzamide
CID 63107799
N-(3-phenylbutyl)benzamide
CID 62403316
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
2-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020
2-[(3S)-3-phenylbutanoyl]benzoic acid
CID 58351071
2-(butan-2-ylamino)benzoic acid
CID 19609454

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylbutylamino)benzoic acid?
The IUPAC name of 2-(3-phenylbutylamino)benzoic acid (CID 63423081) is 2-(3-phenylbutylamino)benzoic acid.
What is the SMILES notation for 2-(3-phenylbutylamino)benzoic acid?
The canonical SMILES for 2-(3-phenylbutylamino)benzoic acid is CC(CCNc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(3-phenylbutylamino)benzoic acid?
The InChIKey is JZBQUSZFEYEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)11-12-18-16-10-6-5-9-15(16)17(19)20/h2-10,13,18H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(3-phenylbutylamino)benzoic acid?
2-(3-phenylbutylamino)benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylbutylamino)benzoic acid is sourced from PubChem (CID 63423081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).