4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline

C18H19BrN2 — CID 107571918

IUPAC4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCc1cc(NCc2cn(C)c3ccccc23)cc(C)c1Br
InChIInChI=1S/C18H19BrN2/c1-12-8-15(9-13(2)18(12)19)20-10-14-11-21(3)17-7-5-4-6-16(14)17/h4-9,11,20H,10H2,1-3H3
InChIKeyCAZPLIJRKAKXTF-UHFFFAOYSA-N
MW343.27 g/mol
LogP5.17
Rot. Bonds3

About 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline

4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline (PubChem CID 107571918) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
PubChem CID107571918
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCc1cc(NCc2cn(C)c3ccccc23)cc(C)c1Br
InChIInChI=1S/C18H19BrN2/c1-12-8-15(9-13(2)18(12)19)20-10-14-11-21(3)17-7-5-4-6-16(14)17/h4-9,11,20H,10H2,1-3H3
InChIKeyCAZPLIJRKAKXTF-UHFFFAOYSA-N
XLogP5.17
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.27
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107235875
2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
CID 107236019
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
3-chloro-5-fluoro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107363989
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
4-bromo-2,3-dichloro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107787603
4-methyl-1-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115125054
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
CID 107235018
4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
CID 107236329
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline (CID 107571918) is 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline is Cc1cc(NCc2cn(C)c3ccccc23)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline?
The InChIKey is CAZPLIJRKAKXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-12-8-15(9-13(2)18(12)19)20-10-14-11-21(3)17-7-5-4-6-16(14)17/h4-9,11,20H,10H2,1-3H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline?
4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline has a molecular weight of 343.27 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline is sourced from PubChem (CID 107571918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).