1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine

C12H14FN3 — CID 176926133

IUPAC1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine
SMILESC=C(N)NCc1cc2cc(F)c(C)cc2[nH]1
InChIInChI=1S/C12H14FN3/c1-7-3-12-9(5-11(7)13)4-10(16-12)6-15-8(2)14/h3-5,15-16H,2,6,14H2,1H3
InChIKeyWZLSNBSNUQDDFI-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.13
Rot. Bonds3

About 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine

1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine (PubChem CID 176926133) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine
PubChem CID176926133
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine
SMILESC=C(N)NCc1cc2cc(F)c(C)cc2[nH]1
InChIInChI=1S/C12H14FN3/c1-7-3-12-9(5-11(7)13)4-10(16-12)6-15-8(2)14/h3-5,15-16H,2,6,14H2,1H3
InChIKeyWZLSNBSNUQDDFI-UHFFFAOYSA-N
XLogP2.13
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2,6-dimethyl-1H-indole
CID 130063636
1-N'-[[6-[6-(aminomethyl)-3-pyridinyl]-5-chloro-1H-indol-2-yl]methyl]ethene-1,1-diamine
CID 176925757
5-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338224
1-N'-[[5-chloro-6-(5-cyclopropylpyrazin-2-yl)-1H-indol-2-yl]methyl]ethene-1,1-diamine
CID 176925959
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-3-methylazetidine-1-carboxamide
CID 171519130
1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine
CID 176925930
3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
CID 171518789
N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171731904
5-fluoro-6-methyl-1H-indole-2-carboxylic acid;methyl 5-fluoro-6-methyl-1H-indole-2-carboxylate
CID 160768064
1-cyano-N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]cyclobutane-1-carboxamide
CID 171518254
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethylamino)-1H-indol-2-yl]methyl]acetamide
CID 171518568
N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide
CID 171518515

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine (CID 176926133) is 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine is C=C(N)NCc1cc2cc(F)c(C)cc2[nH]1.
What is the InChIKey of 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine?
The InChIKey is WZLSNBSNUQDDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-7-3-12-9(5-11(7)13)4-10(16-12)6-15-8(2)14/h3-5,15-16H,2,6,14H2,1H3.
What are the key properties of 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine?
1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine has a molecular weight of 219.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(5-fluoro-6-methyl-1H-indol-2-yl)methyl]ethene-1,1-diamine is sourced from PubChem (CID 176926133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).