3-fluoro-4-naphthalen-2-yloxyaniline

C16H12FNO — CID 13237152

IUPAC3-fluoro-4-naphthalen-2-yloxyaniline
SMILESNc1ccc(Oc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C16H12FNO/c17-15-10-13(18)6-8-16(15)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2
InChIKeyNBNQZMPXOQJNNY-UHFFFAOYSA-N
MW253.28 g/mol
LogP4.35
Rot. Bonds2

About 3-fluoro-4-naphthalen-2-yloxyaniline

3-fluoro-4-naphthalen-2-yloxyaniline (PubChem CID 13237152) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-fluoro-4-naphthalen-2-yloxyaniline.

Molecular Properties

Compound Name3-fluoro-4-naphthalen-2-yloxyaniline
PubChem CID13237152
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name3-fluoro-4-naphthalen-2-yloxyaniline
SMILESNc1ccc(Oc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C16H12FNO/c17-15-10-13(18)6-8-16(15)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2
InChIKeyNBNQZMPXOQJNNY-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 54.35
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

4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
CID 83119
Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
CID 94652
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
4-Methoxynaphthalen-1-amine
CID 11074644
4-(4-Tert-butylphenoxy)aniline
CID 82498
4-(2-Phenylphenoxy)aniline
CID 902705
4-[4-(2-Methylbutan-2-yl)phenoxy]aniline
CID 2312594
2-(2-Naphthyloxy)aniline
CID 2302295
1-Naphthalenamine, 4-butoxy-
CID 3041748
7-Methoxynaphthalen-1-amine
CID 235817
4,4'-(1,1'-Biphenyl-4,4'-diyldioxy)dianiline
CID 632695
4,4'-((1,1'-Biphenyl)-2,5-diylbis(oxy))bis(benzenamine)
CID 125103

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-naphthalen-2-yloxyaniline?
The IUPAC name of 3-fluoro-4-naphthalen-2-yloxyaniline (CID 13237152) is 3-fluoro-4-naphthalen-2-yloxyaniline.
What is the SMILES notation for 3-fluoro-4-naphthalen-2-yloxyaniline?
The canonical SMILES for 3-fluoro-4-naphthalen-2-yloxyaniline is Nc1ccc(Oc2ccc3ccccc3c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-naphthalen-2-yloxyaniline?
The InChIKey is NBNQZMPXOQJNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-15-10-13(18)6-8-16(15)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2.
What are the key properties of 3-fluoro-4-naphthalen-2-yloxyaniline?
3-fluoro-4-naphthalen-2-yloxyaniline has a molecular weight of 253.28 g/mol, XLogP of 4.35, 2 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-yloxyaniline is sourced from PubChem (CID 13237152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).