3-fluoro-4-(naphthalen-1-ylmethoxy)aniline

C17H14FNO — CID 26190143

IUPAC3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
SMILESNc1ccc(OCc2cccc3ccccc23)c(F)c1
InChIInChI=1S/C17H14FNO/c18-16-10-14(19)8-9-17(16)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11,19H2
InChIKeyFMKPLNMNUUDZRZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.14
Rot. Bonds3

About 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline

3-fluoro-4-(naphthalen-1-ylmethoxy)aniline (PubChem CID 26190143) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline.

Molecular Properties

Compound Name3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
PubChem CID26190143
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
SMILESNc1ccc(OCc2cccc3ccccc23)c(F)c1
InChIInChI=1S/C17H14FNO/c18-16-10-14(19)8-9-17(16)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11,19H2
InChIKeyFMKPLNMNUUDZRZ-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.14
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-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
CID 64767706
3-fluoro-4-(quinolin-5-yloxymethyl)aniline
CID 103044079
3-fluoro-4-(methylaminomethoxy)aniline
CID 59156754
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline?
The IUPAC name of 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline (CID 26190143) is 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline.
What is the SMILES notation for 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline?
The canonical SMILES for 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline is Nc1ccc(OCc2cccc3ccccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline?
The InChIKey is FMKPLNMNUUDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-16-10-14(19)8-9-17(16)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11,19H2.
What are the key properties of 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline?
3-fluoro-4-(naphthalen-1-ylmethoxy)aniline has a molecular weight of 267.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline is sourced from PubChem (CID 26190143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).