2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid

C16H16ClNO3 — CID 66527638

IUPAC2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c17-15-7-2-1-5-13(15)11-21-14-6-3-4-12(8-14)9-18-10-16(19)20/h1-8,18H,9-11H2,(H,19,20)
InChIKeyQPNXBKBULOWUBU-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.09
Rot. Bonds7

About 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid

2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid (PubChem CID 66527638) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
PubChem CID66527638
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c17-15-7-2-1-5-13(15)11-21-14-6-3-4-12(8-14)9-18-10-16(19)20/h1-8,18H,9-11H2,(H,19,20)
InChIKeyQPNXBKBULOWUBU-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 38057973
N',N'-dibutyl-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214557

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid (CID 66527638) is 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid is O=C(O)CNCc1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid?
The InChIKey is QPNXBKBULOWUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-15-7-2-1-5-13(15)11-21-14-6-3-4-12(8-14)9-18-10-16(19)20/h1-8,18H,9-11H2,(H,19,20).
What are the key properties of 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid?
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid has a molecular weight of 305.76 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid is sourced from PubChem (CID 66527638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).