2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine

C19H20N2 — CID 139374699

IUPAC2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
SMILESC=C(c1c[nH]c2ccccc12)C(NC)c1ccc(C)cc1
InChIInChI=1S/C19H20N2/c1-13-8-10-15(11-9-13)19(20-3)14(2)17-12-21-18-7-5-4-6-16(17)18/h4-12,19-21H,2H2,1,3H3
InChIKeyAACFOFBYOQFQGJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.45
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine

2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine (PubChem CID 139374699) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
PubChem CID139374699
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
SMILESC=C(c1c[nH]c2ccccc12)C(NC)c1ccc(C)cc1
InChIInChI=1S/C19H20N2/c1-13-8-10-15(11-9-13)19(20-3)14(2)17-12-21-18-7-5-4-6-16(17)18/h4-12,19-21H,2H2,1,3H3
InChIKeyAACFOFBYOQFQGJ-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
3-fluoro-N-[2-(1H-indol-3-yl)-1-phenylprop-2-enyl]aniline
CID 139374318
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
3-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-1H-indole
CID 172643302
N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide
CID 3390781
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795
(2Z,4E)-4-N-[1-(3-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enyl]hexa-2,4-diene-2,4-diamine
CID 139374599
1-(1H-indol-3-yl)-3-(4-methylphenyl)propane-1,2-dione
CID 160732644
(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
CID 164684988
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine?
The IUPAC name of 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine (CID 139374699) is 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine is C=C(c1c[nH]c2ccccc12)C(NC)c1ccc(C)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine?
The InChIKey is AACFOFBYOQFQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-8-10-15(11-9-13)19(20-3)14(2)17-12-21-18-7-5-4-6-16(17)18/h4-12,19-21H,2H2,1,3H3.
What are the key properties of 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine?
2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine has a molecular weight of 276.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 139374699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).