3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine

C13H13FN2 — CID 63077124

IUPAC3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1Nc1cccc(F)c1
InChIInChI=1S/C13H13FN2/c1-9-12(15)6-3-7-13(9)16-11-5-2-4-10(14)8-11/h2-8,16H,15H2,1H3
InChIKeySWQHXLZEGGXDHS-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.46
Rot. Bonds2

About 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine

3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine (PubChem CID 63077124) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
PubChem CID63077124
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1Nc1cccc(F)c1
InChIInChI=1S/C13H13FN2/c1-9-12(15)6-3-7-13(9)16-11-5-2-4-10(14)8-11/h2-8,16H,15H2,1H3
InChIKeySWQHXLZEGGXDHS-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
CID 79048706
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
3-N-(3,4-dichlorophenyl)-2-methylbenzene-1,3-diamine
CID 55147179
3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077293
3-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylbenzene-1,3-diamine
CID 63076938
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951
3-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 175464323
2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
CID 107115678
2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine
CID 63077971
3-fluoro-N-phenylaniline
CID 2774466

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine (CID 63077124) is 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine is Cc1c(N)cccc1Nc1cccc(F)c1.
What is the InChIKey of 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine?
The InChIKey is SWQHXLZEGGXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-9-12(15)6-3-7-13(9)16-11-5-2-4-10(14)8-11/h2-8,16H,15H2,1H3.
What are the key properties of 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine?
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine has a molecular weight of 216.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 63077124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).