4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine

C13H13FN2O — CID 142729124

IUPAC4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
SMILESNc1ccc(OCc2ccccc2F)c(N)c1
InChIInChI=1S/C13H13FN2O/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7H,8,15-16H2
InChIKeyHRUYQQXRFXXANY-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.57
Rot. Bonds3

About 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine

4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine (PubChem CID 142729124) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
PubChem CID142729124
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
SMILESNc1ccc(OCc2ccccc2F)c(N)c1
InChIInChI=1S/C13H13FN2O/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7H,8,15-16H2
InChIKeyHRUYQQXRFXXANY-UHFFFAOYSA-N
XLogP2.57
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
2-[(2,4-diaminophenoxy)methyl]benzene-1,4-diamine
CID 57055937
2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
CID 10132592
3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
CID 26190143
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile
CID 113444327
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
2-[(2-fluorophenyl)methoxy]quinolin-6-amine
CID 63933634
4-[(2,4-diaminophenoxy)methoxy]benzene-1,3-diamine
CID 15801088

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine (CID 142729124) is 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine is Nc1ccc(OCc2ccccc2F)c(N)c1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine?
The InChIKey is HRUYQQXRFXXANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-4-2-1-3-9(11)8-17-13-6-5-10(15)7-12(13)16/h1-7H,8,15-16H2.
What are the key properties of 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine?
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine is sourced from PubChem (CID 142729124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).