3-fluoro-4-(naphthalen-2-yloxymethyl)aniline

C17H14FNO — CID 64767706

IUPAC3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
SMILESNc1ccc(COc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C17H14FNO/c18-17-10-15(19)7-5-14(17)11-20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2
InChIKeyGZXQNMUMFQRJHF-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.14
Rot. Bonds3

About 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline

3-fluoro-4-(naphthalen-2-yloxymethyl)aniline (PubChem CID 64767706) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
PubChem CID64767706
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
SMILESNc1ccc(COc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C17H14FNO/c18-17-10-15(19)7-5-14(17)11-20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2
InChIKeyGZXQNMUMFQRJHF-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

2-[2-(naphthalen-2-yloxymethyl)phenyl]ethanamine
CID 115464887
3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-fluoroaniline
CID 64768695
4-[(4-butylphenoxy)methyl]-3-fluoroaniline
CID 115492298
4-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 64769075
4-[(2,4,5-trifluorophenyl)methoxy]aniline
CID 22137956
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
2,3-difluoro-6-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]naphthalene
CID 139854596
4-[(4-bromo-3-fluorophenoxy)methyl]-3-chloroaniline
CID 65203491
3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
CID 26190143
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline?
The IUPAC name of 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline (CID 64767706) is 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline.
What is the SMILES notation for 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline?
The canonical SMILES for 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline is Nc1ccc(COc2ccc3ccccc3c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline?
The InChIKey is GZXQNMUMFQRJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-17-10-15(19)7-5-14(17)11-20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2.
What are the key properties of 3-fluoro-4-(naphthalen-2-yloxymethyl)aniline?
3-fluoro-4-(naphthalen-2-yloxymethyl)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-2-yloxymethyl)aniline is sourced from PubChem (CID 64767706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).