2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid

C16H17NO3 — CID 115460495

IUPAC2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid
SMILESNc1ccc(COCc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C16H17NO3/c17-15-7-5-12(6-8-15)10-20-11-14-4-2-1-3-13(14)9-16(18)19/h1-8H,9-11,17H2,(H,18,19)
InChIKeyCZRMBBFBOYHFDU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds6

About 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid

2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid (PubChem CID 115460495) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid
PubChem CID115460495
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid
SMILESNc1ccc(COCc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C16H17NO3/c17-15-7-5-12(6-8-15)10-20-11-14-4-2-1-3-13(14)9-16(18)19/h1-8H,9-11,17H2,(H,18,19)
InChIKeyCZRMBBFBOYHFDU-UHFFFAOYSA-N
XLogP2.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(phenylmethoxymethyl)aniline
CID 11701294
[2-(phenylmethoxymethyl)phenyl]methanol
CID 54193166
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831
2-[2-(chlorooxymethyl)phenyl]acetic acid
CID 174719829
CID 172781038
CID 172781038
CID 172781001
CID 172781001
2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
CID 119763496
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline
CID 112651663
acetic acid;phenylmethoxymethylbenzene
CID 175214238
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid (CID 115460495) is 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid is Nc1ccc(COCc2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid?
The InChIKey is CZRMBBFBOYHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-15-7-5-12(6-8-15)10-20-11-14-4-2-1-3-13(14)9-16(18)19/h1-8H,9-11,17H2,(H,18,19).
What are the key properties of 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid?
2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid is sourced from PubChem (CID 115460495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).