2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid

C17H19NO2 — CID 115461449

IUPAC2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNCCc1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(20)12-15-8-4-5-9-16(15)13-18-11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,20)
InChIKeyPWONDMRHQSCFDN-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.65
Rot. Bonds7

About 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid

2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid (PubChem CID 115461449) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid
PubChem CID115461449
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNCCc1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(20)12-15-8-4-5-9-16(15)13-18-11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,20)
InChIKeyPWONDMRHQSCFDN-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 103234125
2-[(2-phenylethylamino)methyl]benzoic acid
CID 17157313
2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
2-[2-[(2-phenylsulfanylethylamino)methyl]phenyl]acetic acid
CID 115461678
N-[(2-nitrophenyl)methyl]-2-phenylethanamine
CID 2063752
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
CID 172781038
CID 172781038
CID 172781001
CID 172781001
2-[5-[(3-phenylpropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894991

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid (CID 115461449) is 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNCCc1ccccc1.
What is the InChIKey of 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid?
The InChIKey is PWONDMRHQSCFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(20)12-15-8-4-5-9-16(15)13-18-11-10-14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,20).
What are the key properties of 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid?
2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 115461449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).