4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline

C17H14FNO — CID 104781273

IUPAC4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
SMILESCOc1ccc2cc(-c3cc(N)ccc3F)ccc2c1
InChIInChI=1S/C17H14FNO/c1-20-15-6-4-11-8-13(3-2-12(11)9-15)16-10-14(19)5-7-17(16)18/h2-10H,19H2,1H3
InChIKeyINFQYWDCAPTPHO-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.24
Rot. Bonds2

About 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline

4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline (PubChem CID 104781273) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
PubChem CID104781273
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
SMILESCOc1ccc2cc(-c3cc(N)ccc3F)ccc2c1
InChIInChI=1S/C17H14FNO/c1-20-15-6-4-11-8-13(3-2-12(11)9-15)16-10-14(19)5-7-17(16)18/h2-10H,19H2,1H3
InChIKeyINFQYWDCAPTPHO-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine
CID 81441338
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
4-fluoro-3-(4-phenoxyphenyl)aniline
CID 104781257
4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
1-fluoro-4-methoxy-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145014279
5-(6-methoxynaphthalen-2-yl)-6-methylpyridin-2-amine
CID 79048610
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline?
The IUPAC name of 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline (CID 104781273) is 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline.
What is the SMILES notation for 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline?
The canonical SMILES for 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline is COc1ccc2cc(-c3cc(N)ccc3F)ccc2c1.
What is the InChIKey of 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline?
The InChIKey is INFQYWDCAPTPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-20-15-6-4-11-8-13(3-2-12(11)9-15)16-10-14(19)5-7-17(16)18/h2-10H,19H2,1H3.
What are the key properties of 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline?
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline has a molecular weight of 267.30 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline is sourced from PubChem (CID 104781273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).