2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid

C16H17NO3 — CID 103268485

IUPAC2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO3/c18-15-7-5-14(6-8-15)11-17-10-13-3-1-12(2-4-13)9-16(19)20/h1-8,17-18H,9-11H2,(H,19,20)
InChIKeySONDWTLHPOWIBR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.31
Rot. Bonds6

About 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid

2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid (PubChem CID 103268485) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
PubChem CID103268485
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO3/c18-15-7-5-14(6-8-15)11-17-10-13-3-1-12(2-4-13)9-16(19)20/h1-8,17-18H,9-11H2,(H,19,20)
InChIKeySONDWTLHPOWIBR-UHFFFAOYSA-N
XLogP2.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
CID 103236241
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
2-[4-(propylaminomethyl)phenyl]acetic acid
CID 103235096
2-[(4-hydroxyphenyl)methylamino]acetic acid;2-methylpropane
CID 163373715
2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
CID 103239796
2-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]acetic acid
CID 103244811
4-(4-hydroxyphenyl)-3-oxobutanoic acid
CID 91396936
2-[4-[(3-aminopropylamino)methyl]phenyl]acetic acid
CID 103248106
2-[4-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 103234125
2-[4-[[(3-chlorophenyl)methylamino]methyl]phenyl]acetic acid
CID 103248717
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
2-[(4-hydroxyphenyl)methylamino]acetamide
CID 16775960

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid (CID 103268485) is 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CNCc2ccc(O)cc2)cc1.
What is the InChIKey of 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid?
The InChIKey is SONDWTLHPOWIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15-7-5-14(6-8-15)11-17-10-13-3-1-12(2-4-13)9-16(19)20/h1-8,17-18H,9-11H2,(H,19,20).
What are the key properties of 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid?
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 103268485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).