4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane

C15H16FN3 — CID 144924015

IUPAC4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
SMILESC.Nc1ccc(-c2c[nH]c3cc(F)ccc23)cc1N
InChIInChI=1S/C14H12FN3.CH4/c15-9-2-3-10-11(7-18-14(10)6-9)8-1-4-12(16)13(17)5-8;/h1-7,18H,16-17H2;1H4
InChIKeyUERNLIXULBYESG-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.77
Rot. Bonds1

About 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane

4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane (PubChem CID 144924015) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
PubChem CID144924015
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
SMILESC.Nc1ccc(-c2c[nH]c3cc(F)ccc23)cc1N
InChIInChI=1S/C14H12FN3.CH4/c15-9-2-3-10-11(7-18-14(10)6-9)8-1-4-12(16)13(17)5-8;/h1-7,18H,16-17H2;1H4
InChIKeyUERNLIXULBYESG-UHFFFAOYSA-N
XLogP3.77
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.77
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

3-(4-aminophenyl)-1H-indol-6-amine
CID 67112268
6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701
2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
CID 145044312
1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine
CID 144924000
4-(2,4-difluorophenyl)benzene-1,2-diamine
CID 172847210
6-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 118400716
5-(6-fluoro-1H-indol-3-yl)-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 118382430
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
CID 144902248
6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine;methane
CID 159302679
3-(3-fluorophenyl)-1H-indole-6-carboxylic acid
CID 59625885
4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane
CID 145257869
5-(6-fluoro-1H-indol-3-yl)-3-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 122529278

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane (CID 144924015) is 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane is C.Nc1ccc(-c2c[nH]c3cc(F)ccc23)cc1N.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane?
The InChIKey is UERNLIXULBYESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3.CH4/c15-9-2-3-10-11(7-18-14(10)6-9)8-1-4-12(16)13(17)5-8;/h1-7,18H,16-17H2;1H4.
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane?
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane has a molecular weight of 257.31 g/mol, XLogP of 3.77, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane is sourced from PubChem (CID 144924015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).