3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline

C17H17FN2 — CID 107235875

IUPAC3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCc1cc(F)cc(NCc2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H17FN2/c1-12-7-14(18)9-15(8-12)19-10-13-11-20(2)17-6-4-3-5-16(13)17/h3-9,11,19H,10H2,1-2H3
InChIKeyKQIDPVCOLNYZBI-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.24
Rot. Bonds3

About 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline

3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline (PubChem CID 107235875) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
PubChem CID107235875
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCc1cc(F)cc(NCc2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H17FN2/c1-12-7-14(18)9-15(8-12)19-10-13-11-20(2)17-6-4-3-5-16(13)17/h3-9,11,19H,10H2,1-2H3
InChIKeyKQIDPVCOLNYZBI-UHFFFAOYSA-N
XLogP4.24
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107363989
4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107571918
2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
CID 107236019
4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
CID 107236329
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
4-methyl-1-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115125054
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
CID 107235018
2-[2-[(3-fluoro-5-methylanilino)methyl]phenyl]acetic acid
CID 115462142
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107787603

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline?
The IUPAC name of 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline (CID 107235875) is 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline is Cc1cc(F)cc(NCc2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline?
The InChIKey is KQIDPVCOLNYZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-12-7-14(18)9-15(8-12)19-10-13-11-20(2)17-6-4-3-5-16(13)17/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline?
3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline has a molecular weight of 268.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline is sourced from PubChem (CID 107235875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).