2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid

C20H18ClNO3 — CID 66527086

IUPAC2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C20H18ClNO3/c21-16-8-5-14(6-9-16)13-25-19-10-7-15-3-1-2-4-17(15)18(19)11-22-12-20(23)24/h1-10,22H,11-13H2,(H,23,24)
InChIKeyFSQDKSFNXZXHHY-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.25
Rot. Bonds7

About 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid

2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid (PubChem CID 66527086) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
PubChem CID66527086
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C20H18ClNO3/c21-16-8-5-14(6-9-16)13-25-19-10-7-15-3-1-2-4-17(15)18(19)11-22-12-20(23)24/h1-10,22H,11-13H2,(H,23,24)
InChIKeyFSQDKSFNXZXHHY-UHFFFAOYSA-N
XLogP4.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
2-[2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294792
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methylbutan-2-amine;hydrochloride
CID 17210770
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine
CID 17058803
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155741
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid (CID 66527086) is 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid is O=C(O)CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid?
The InChIKey is FSQDKSFNXZXHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-16-8-5-14(6-9-16)13-25-19-10-7-15-3-1-2-4-17(15)18(19)11-22-12-20(23)24/h1-10,22H,11-13H2,(H,23,24).
What are the key properties of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid?
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid has a molecular weight of 355.82 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid is sourced from PubChem (CID 66527086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).