N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine

C20H22N2O — CID 176731978

IUPACN-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine
SMILESCOc1ccccc1C=CCN(C)Cc1cccc2cc[nH]c12
InChIInChI=1S/C20H22N2O/c1-22(14-6-10-16-7-3-4-11-19(16)23-2)15-18-9-5-8-17-12-13-21-20(17)18/h3-13,21H,14-15H2,1-2H3
InChIKeyPNJLHEWWBYGHIC-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.32
Rot. Bonds6

About N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine

N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine (PubChem CID 176731978) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine
PubChem CID176731978
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine
SMILESCOc1ccccc1C=CCN(C)Cc1cccc2cc[nH]c12
InChIInChI=1S/C20H22N2O/c1-22(14-6-10-16-7-3-4-11-19(16)23-2)15-18-9-5-8-17-12-13-21-20(17)18/h3-13,21H,14-15H2,1-2H3
InChIKeyPNJLHEWWBYGHIC-UHFFFAOYSA-N
XLogP4.32
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
CID 54202558
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
(3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol
CID 167940575
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
2-[1H-indol-7-ylmethyl(methyl)amino]ethanol;2-[1H-indol-7-ylmethyl(methyl)amino]ethyl methanesulfonate
CID 159652116
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
4-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 113453649
7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole
CID 59674725
4-(1H-indol-7-yl)but-3-enal
CID 170482005

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine (CID 176731978) is N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine is COc1ccccc1C=CCN(C)Cc1cccc2cc[nH]c12.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is PNJLHEWWBYGHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-22(14-6-10-16-7-3-4-11-19(16)23-2)15-18-9-5-8-17-12-13-21-20(17)18/h3-13,21H,14-15H2,1-2H3.
What are the key properties of N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine?
N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 306.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 176731978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).