3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine

C13H13FN2 — CID 143768417

IUPAC3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine
SMILESCNc1cccc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C13H13FN2/c1-16-12-4-2-3-11(13(12)15)9-5-7-10(14)8-6-9/h2-8,16H,15H2,1H3
InChIKeyDAKVFZRLKVXFLK-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.12
Rot. Bonds2

About 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine

3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 143768417) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine
PubChem CID143768417
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine
SMILESCNc1cccc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C13H13FN2/c1-16-12-4-2-3-11(13(12)15)9-5-7-10(14)8-6-9/h2-8,16H,15H2,1H3
InChIKeyDAKVFZRLKVXFLK-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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

N-(1-Naphthyl)ethylenediamine
CID 15107
N,N'-Di-o-tolylethylenediamine
CID 66759
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-Methyl-1-naphthylamine
CID 16667
4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588
N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 715666
N1-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
N,N'-Ethylenedi-m-toluidine
CID 81493
N~1~-Benzyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 694780
N4',N4'-Dimethyl-[1,1'-biphenyl]-3,4'-diamine
CID 3274654
6-Phenyl-1,2,3,4-tetrahydroquinoxaline
CID 241512
1-{4'-Fluoro-[1,1'-biphenyl]-2-yl}piperazine
CID 23133427

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine (CID 143768417) is 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine is CNc1cccc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is DAKVFZRLKVXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-16-12-4-2-3-11(13(12)15)9-5-7-10(14)8-6-9/h2-8,16H,15H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine?
3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 216.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 143768417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).