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

C22H28N2 — CID 131990127

IUPACN,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline
SMILESCC(c1ccccc1N(C)C)C(C)(C)c1cccc2c1ccn2C
InChIInChI=1S/C22H28N2/c1-16(17-10-7-8-12-20(17)23(4)5)22(2,3)19-11-9-13-21-18(19)14-15-24(21)6/h7-16H,1-6H3
InChIKeyNLSHADGBQGLGJE-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.33
Rot. Bonds4

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

N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline (PubChem CID 131990127) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline
PubChem CID131990127
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC NameN,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline
SMILESCC(c1ccccc1N(C)C)C(C)(C)c1cccc2c1ccn2C
InChIInChI=1S/C22H28N2/c1-16(17-10-7-8-12-20(17)23(4)5)22(2,3)19-11-9-13-21-18(19)14-15-24(21)6/h7-16H,1-6H3
InChIKeyNLSHADGBQGLGJE-UHFFFAOYSA-N
XLogP5.33
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline?
The IUPAC name of N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline (CID 131990127) is N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline is CC(c1ccccc1N(C)C)C(C)(C)c1cccc2c1ccn2C.
What is the InChIKey of N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline?
The InChIKey is NLSHADGBQGLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-16(17-10-7-8-12-20(17)23(4)5)22(2,3)19-11-9-13-21-18(19)14-15-24(21)6/h7-16H,1-6H3.
What are the key properties of N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline?
N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline has a molecular weight of 320.48 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-methyl-3-(1-methylindol-4-yl)butan-2-yl]aniline is sourced from PubChem (CID 131990127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).