3-[4-(anilinomethyl)phenyl]propanoic acid

C16H17NO2 — CID 54586010

IUPAC3-[4-(anilinomethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c18-16(19)11-10-13-6-8-14(9-7-13)12-17-15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)
InChIKeyUTOCZNUFZTYDBZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.32
Rot. Bonds6

About 3-[4-(anilinomethyl)phenyl]propanoic acid

3-[4-(anilinomethyl)phenyl]propanoic acid (PubChem CID 54586010) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[4-(anilinomethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(anilinomethyl)phenyl]propanoic acid
PubChem CID54586010
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-[4-(anilinomethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c18-16(19)11-10-13-6-8-14(9-7-13)12-17-15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)
InChIKeyUTOCZNUFZTYDBZ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46941175
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CID 854057
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CID 14762941
CID 14762941
CID 23346507
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CID 24825485
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CID 19375
CID 19375
CID 17341936
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CID 24825484
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CID 24825486
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CID 24825491
CID 24825491

Frequently Asked Questions

What is the IUPAC name of 3-[4-(anilinomethyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(anilinomethyl)phenyl]propanoic acid (CID 54586010) is 3-[4-(anilinomethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(anilinomethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(anilinomethyl)phenyl]propanoic acid is O=C(O)CCc1ccc(CNc2ccccc2)cc1.
What is the InChIKey of 3-[4-(anilinomethyl)phenyl]propanoic acid?
The InChIKey is UTOCZNUFZTYDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)11-10-13-6-8-14(9-7-13)12-17-15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19).
What are the key properties of 3-[4-(anilinomethyl)phenyl]propanoic acid?
3-[4-(anilinomethyl)phenyl]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(anilinomethyl)phenyl]propanoic acid is sourced from PubChem (CID 54586010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).