4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine

C15H14FN3 — CID 115124152

IUPAC4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine
SMILESNc1ccc(F)cc1NCc1c[nH]c2ccccc12
InChIInChI=1S/C15H14FN3/c16-11-5-6-13(17)15(7-11)19-9-10-8-18-14-4-2-1-3-12(10)14/h1-8,18-19H,9,17H2
InChIKeyLKKGTNFEOHHHHJ-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.50
Rot. Bonds3

About 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine

4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine (PubChem CID 115124152) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine
PubChem CID115124152
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine
SMILESNc1ccc(F)cc1NCc1c[nH]c2ccccc12
InChIInChI=1S/C15H14FN3/c16-11-5-6-13(17)15(7-11)19-9-10-8-18-14-4-2-1-3-12(10)14/h1-8,18-19H,9,17H2
InChIKeyLKKGTNFEOHHHHJ-UHFFFAOYSA-N
XLogP3.50
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
CID 115124154
2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
CID 115124164
2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline
CID 83081633
2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine
CID 115147676
N-(1H-indol-3-ylmethyl)-1H-indazol-4-amine
CID 62325226
3-fluoro-5-(1H-indol-3-ylmethylamino)-4-methylbenzonitrile
CID 62332437
N-(1H-indol-3-ylmethyl)-2-(methoxymethyl)aniline
CID 62332420
1H-indol-3-ylmethylcyanamide
CID 145401688
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
4-bromo-2-N-(1H-indol-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60681484
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
CID 62326498

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine (CID 115124152) is 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine is Nc1ccc(F)cc1NCc1c[nH]c2ccccc12.
What is the InChIKey of 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is LKKGTNFEOHHHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-11-5-6-13(17)15(7-11)19-9-10-8-18-14-4-2-1-3-12(10)14/h1-8,18-19H,9,17H2.
What are the key properties of 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine?
4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 255.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 115124152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).