2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine

C26H31N3O — CID 158014002

IUPAC2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine
SMILESCN/C(=C/OC)Cc1ccc2ccccc2c1.CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17NO.C11H14N2/c1-16-15(11-17-2)10-12-7-8-13-5-3-4-6-14(13)9-12;1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h3-9,11,16H,10H2,1-2H3;2-5,8,12-13H,6-7H2,1H3/b15-11+;
InChIKeyFFFWBSFHYZOEJT-KRWCAOSLSA-N
MW401.55 g/mol
LogP5.02
Rot. Bonds7

About 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine

2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine (PubChem CID 158014002) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine
PubChem CID158014002
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine
SMILESCN/C(=C/OC)Cc1ccc2ccccc2c1.CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17NO.C11H14N2/c1-16-15(11-17-2)10-12-7-8-13-5-3-4-6-14(13)9-12;1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h3-9,11,16H,10H2,1-2H3;2-5,8,12-13H,6-7H2,1H3/b15-11+;
InChIKeyFFFWBSFHYZOEJT-KRWCAOSLSA-N
XLogP5.02
TPSA49.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol
CID 143831830
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 70211742
3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide
CID 89150467
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
CID 59081943
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
CID 14181017
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113163074

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine?
The IUPAC name of 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine (CID 158014002) is 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine is CN/C(=C/OC)Cc1ccc2ccccc2c1.CNCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine?
The InChIKey is FFFWBSFHYZOEJT-KRWCAOSLSA-N. The full InChI is InChI=1S/C15H17NO.C11H14N2/c1-16-15(11-17-2)10-12-7-8-13-5-3-4-6-14(13)9-12;1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h3-9,11,16H,10H2,1-2H3;2-5,8,12-13H,6-7H2,1H3/b15-11+;.
What are the key properties of 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine?
2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine has a molecular weight of 401.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methylethanamine;(E)-1-methoxy-N-methyl-3-naphthalen-2-ylprop-1-en-2-amine is sourced from PubChem (CID 158014002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).