N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine

C20H22N2 — CID 176731953

IUPACN-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine
SMILESCc1ccc(C=CCN(C)Cc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C20H22N2/c1-16-8-10-17(11-9-16)5-4-14-22(2)15-19-7-3-6-18-12-13-21-20(18)19/h3-13,21H,14-15H2,1-2H3
InChIKeyQNKPIMLOCCSNRO-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.62
Rot. Bonds5

About N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine

N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine (PubChem CID 176731953) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine
PubChem CID176731953
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine
SMILESCc1ccc(C=CCN(C)Cc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C20H22N2/c1-16-8-10-17(11-9-16)5-4-14-22(2)15-19-7-3-6-18-12-13-21-20(18)19/h3-13,21H,14-15H2,1-2H3
InChIKeyQNKPIMLOCCSNRO-UHFFFAOYSA-N
XLogP4.62
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine?
The IUPAC name of N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine (CID 176731953) is N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine is Cc1ccc(C=CCN(C)Cc2cccc3cc[nH]c23)cc1.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine?
The InChIKey is QNKPIMLOCCSNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-16-8-10-17(11-9-16)5-4-14-22(2)15-19-7-3-6-18-12-13-21-20(18)19/h3-13,21H,14-15H2,1-2H3.
What are the key properties of N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine?
N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine has a molecular weight of 290.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 176731953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).