N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline

C19H20N2 — CID 144941300

IUPACN-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline
SMILESC=C(Cc1c[nH]c2ccccc12)Nc1ccc(C)cc1C
InChIInChI=1S/C19H20N2/c1-13-8-9-18(14(2)10-13)21-15(3)11-16-12-20-19-7-5-4-6-17(16)19/h4-10,12,20-21H,3,11H2,1-2H3
InChIKeyFPVDFRXOLYOJSE-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.95
Rot. Bonds4

About N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline

N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline (PubChem CID 144941300) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline
PubChem CID144941300
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline
SMILESC=C(Cc1c[nH]c2ccccc12)Nc1ccc(C)cc1C
InChIInChI=1S/C19H20N2/c1-13-8-9-18(14(2)10-13)21-15(3)11-16-12-20-19-7-5-4-6-17(16)19/h4-10,12,20-21H,3,11H2,1-2H3
InChIKeyFPVDFRXOLYOJSE-UHFFFAOYSA-N
XLogP4.95
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
2-[bis(2-phenylacetyl)amino]-N-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 21156433
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
N-(2,4-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215351
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 8733084
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5111076
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5411943
2-[2-(1H-indol-3-yl)ethylamino]-5-methylbenzoic acid
CID 170655465

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline?
The IUPAC name of N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline (CID 144941300) is N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline.
What is the SMILES notation for N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline?
The canonical SMILES for N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline is C=C(Cc1c[nH]c2ccccc12)Nc1ccc(C)cc1C.
What is the InChIKey of N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline?
The InChIKey is FPVDFRXOLYOJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-8-9-18(14(2)10-13)21-15(3)11-16-12-20-19-7-5-4-6-17(16)19/h4-10,12,20-21H,3,11H2,1-2H3.
What are the key properties of N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline?
N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline has a molecular weight of 276.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline is sourced from PubChem (CID 144941300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).