2-[2-(4-butylanilino)phenyl]acetic acid

C18H21NO2 — CID 18546340

IUPAC2-[2-(4-butylanilino)phenyl]acetic acid
SMILESCCCCc1ccc(Nc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C18H21NO2/c1-2-3-6-14-9-11-16(12-10-14)19-17-8-5-4-7-15(17)13-18(20)21/h4-5,7-12,19H,2-3,6,13H2,1H3,(H,20,21)
InChIKeyGBCCARUPTLJMQZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.40
Rot. Bonds7

About 2-[2-(4-butylanilino)phenyl]acetic acid

2-[2-(4-butylanilino)phenyl]acetic acid (PubChem CID 18546340) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-(4-butylanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-butylanilino)phenyl]acetic acid
PubChem CID18546340
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[2-(4-butylanilino)phenyl]acetic acid
SMILESCCCCc1ccc(Nc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C18H21NO2/c1-2-3-6-14-9-11-16(12-10-14)19-17-8-5-4-7-15(17)13-18(20)21/h4-5,7-12,19H,2-3,6,13H2,1H3,(H,20,21)
InChIKeyGBCCARUPTLJMQZ-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-decylanilino)benzoic acid
CID 44539112
1-[2-(4-pentylanilino)phenyl]ethanone
CID 155289993
2-[2-[[4-(4-butylphenyl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353072
2-[2-(4-bromoanilino)phenyl]acetic acid
CID 18546402
4-octyl-N-(4-octylphenyl)aniline;2-prop-2-enyl-N-(2-prop-2-enylphenyl)aniline
CID 69463861
2-pentyl-N-phenylaniline
CID 20516677
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
2-(4-butylanilino)benzenecarbothioamide
CID 43378508
2-[4-[(4-butylphenyl)carbamothioylamino]phenyl]acetic acid
CID 19649094
butylbenzene;carbonic acid
CID 158278492
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(4-butylanilino)phenyl]acetic acid (CID 18546340) is 2-[2-(4-butylanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-butylanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(4-butylanilino)phenyl]acetic acid is CCCCc1ccc(Nc2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-butylanilino)phenyl]acetic acid?
The InChIKey is GBCCARUPTLJMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-3-6-14-9-11-16(12-10-14)19-17-8-5-4-7-15(17)13-18(20)21/h4-5,7-12,19H,2-3,6,13H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-butylanilino)phenyl]acetic acid?
2-[2-(4-butylanilino)phenyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylanilino)phenyl]acetic acid is sourced from PubChem (CID 18546340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).