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

C15H14FN3 — CID 115123757

IUPAC2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine
SMILESCc1[nH]c2ccccc2c1Nc1ccc(N)c(F)c1
InChIInChI=1S/C15H14FN3/c1-9-15(11-4-2-3-5-14(11)18-9)19-10-6-7-13(17)12(16)8-10/h2-8,18-19H,17H2,1H3
InChIKeyRGWFAEYNKSWSAH-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.94
Rot. Bonds2

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

2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine (PubChem CID 115123757) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine
PubChem CID115123757
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine
SMILESCc1[nH]c2ccccc2c1Nc1ccc(N)c(F)c1
InChIInChI=1S/C15H14FN3/c1-9-15(11-4-2-3-5-14(11)18-9)19-10-6-7-13(17)12(16)8-10/h2-8,18-19H,17H2,1H3
InChIKeyRGWFAEYNKSWSAH-UHFFFAOYSA-N
XLogP3.94
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.94
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-amino-3-[(2-methyl-1H-indol-3-yl)amino]benzonitrile
CID 115127198
N-(2-chloroethyl)-2-methyl-1H-indol-3-amine
CID 115214600
4-fluoro-2-N-[(2-methyl-1H-indol-3-yl)methyl]benzene-1,2-diamine
CID 115124154
4-fluoro-2-N-methyl-2-N-(2-methyl-1H-indol-3-yl)benzene-1,2-diamine
CID 115124113
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-indol-3-amine
CID 115212643
6-N-ethyl-4-N-(2-methyl-1H-indol-3-yl)pyrimidine-4,6-diamine
CID 115265629
2-fluoro-4-N-(2-methyl-1,3-benzoxazol-5-yl)benzene-1,4-diamine
CID 115123777
1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115199020
3-methyl-1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115200369
2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 29067362
3-fluoro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 115125585
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine (CID 115123757) is 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine is Cc1[nH]c2ccccc2c1Nc1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine?
The InChIKey is RGWFAEYNKSWSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-9-15(11-4-2-3-5-14(11)18-9)19-10-6-7-13(17)12(16)8-10/h2-8,18-19H,17H2,1H3.
What are the key properties of 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine?
2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine has a molecular weight of 255.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-N-(2-methyl-1H-indol-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 115123757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).