4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline

C17H14ClNO2 — CID 63675956

IUPAC4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline
SMILESCOc1cc(Oc2ccc(Cl)c3ccccc23)ccc1N
InChIInChI=1S/C17H14ClNO2/c1-20-17-10-11(6-8-15(17)19)21-16-9-7-14(18)12-4-2-3-5-13(12)16/h2-10H,19H2,1H3
InChIKeyQQLOAUBSAWAMCG-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.88
Rot. Bonds3

About 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline

4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline (PubChem CID 63675956) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline
PubChem CID63675956
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline
SMILESCOc1cc(Oc2ccc(Cl)c3ccccc23)ccc1N
InChIInChI=1S/C17H14ClNO2/c1-20-17-10-11(6-8-15(17)19)21-16-9-7-14(18)12-4-2-3-5-13(12)16/h2-10H,19H2,1H3
InChIKeyQQLOAUBSAWAMCG-UHFFFAOYSA-N
XLogP4.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methoxynaphthalene
CID 606038
2-methoxy-4-(2-propan-2-ylphenoxy)aniline
CID 55231972
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline
CID 26190495
4-(2,3-dimethylphenoxy)-2-methoxyaniline
CID 63677998
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2-(3,4,5-trimethoxyphenoxy)aniline
CID 11173411
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
2-methoxy-5-quinolin-4-yloxyaniline
CID 103202072
4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
CID 64602118

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline (CID 63675956) is 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline is COc1cc(Oc2ccc(Cl)c3ccccc23)ccc1N.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline?
The InChIKey is QQLOAUBSAWAMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-20-17-10-11(6-8-15(17)19)21-16-9-7-14(18)12-4-2-3-5-13(12)16/h2-10H,19H2,1H3.
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline?
4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline has a molecular weight of 299.76 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxy-2-methoxyaniline is sourced from PubChem (CID 63675956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).