2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine

C13H13FN2 — CID 28970511

IUPAC2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
SMILESNc1ccccc1NCc1cccc(F)c1
InChIInChI=1S/C13H13FN2/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8,16H,9,15H2
InChIKeyHLUCSQSJGCDMET-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.02
Rot. Bonds3

About 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine

2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine (PubChem CID 28970511) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
PubChem CID28970511
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
SMILESNc1ccccc1NCc1cccc(F)c1
InChIInChI=1S/C13H13FN2/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8,16H,9,15H2
InChIKeyHLUCSQSJGCDMET-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.02
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-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
2-N-[(3-chlorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 55086539
2-chloro-4-N-[(3-fluorophenyl)methyl]-5-methylbenzene-1,4-diamine
CID 113334152
1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol
CID 54962584
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
3,4-difluoro-2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 55086262
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
5-N-[(3-fluorophenyl)methyl]isoquinoline-5,8-diamine
CID 43448730
N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
CID 29032842
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
5-amino-2-[(3-fluorophenyl)methylamino]benzoic acid
CID 54887767
N-[(3-fluorophenyl)methyl]-2-prop-2-enylsulfanylaniline
CID 60695888

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine (CID 28970511) is 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine is Nc1ccccc1NCc1cccc(F)c1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine?
The InChIKey is HLUCSQSJGCDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8,16H,9,15H2.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine?
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine has a molecular weight of 216.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 28970511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).