2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline

C18H20N2 — CID 107234529

IUPAC2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCc1ccc(NCc2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C18H20N2/c1-13-8-9-17(14(2)10-13)19-11-15-12-20(3)18-7-5-4-6-16(15)18/h4-10,12,19H,11H2,1-3H3
InChIKeyFQJWBJYZCOLAAT-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.41
Rot. Bonds3

About 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline

2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline (PubChem CID 107234529) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
PubChem CID107234529
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCc1ccc(NCc2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C18H20N2/c1-13-8-9-17(14(2)10-13)19-11-15-12-20(3)18-7-5-4-6-16(15)18/h4-10,12,19H,11H2,1-3H3
InChIKeyFQJWBJYZCOLAAT-UHFFFAOYSA-N
XLogP4.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115125054
4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107571918
3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107235875
4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107787603
2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
CID 107236019
N-(1-benzothiophen-3-ylmethyl)-2,4-dimethylaniline
CID 63418099
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
3-chloro-5-fluoro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107363989

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline (CID 107234529) is 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline is Cc1ccc(NCc2cn(C)c3ccccc23)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline?
The InChIKey is FQJWBJYZCOLAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-8-9-17(14(2)10-13)19-11-15-12-20(3)18-7-5-4-6-16(15)18/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline?
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline has a molecular weight of 264.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline is sourced from PubChem (CID 107234529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).