N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine

C22H23N3O3 — CID 118510456

IUPACN-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine
SMILESCOc1c(Nc2ccc3[nH]ccc3c2)cccc1OCCNCc1ccco1
InChIInChI=1S/C22H23N3O3/c1-26-22-20(25-17-7-8-19-16(14-17)9-10-24-19)5-2-6-21(22)28-13-11-23-15-18-4-3-12-27-18/h2-10,12,14,23-25H,11,13,15H2,1H3
InChIKeyXIZHQADUOXREMU-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.68
Rot. Bonds9

About N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine

N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine (PubChem CID 118510456) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine
PubChem CID118510456
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine
SMILESCOc1c(Nc2ccc3[nH]ccc3c2)cccc1OCCNCc1ccco1
InChIInChI=1S/C22H23N3O3/c1-26-22-20(25-17-7-8-19-16(14-17)9-10-24-19)5-2-6-21(22)28-13-11-23-15-18-4-3-12-27-18/h2-10,12,14,23-25H,11,13,15H2,1H3
InChIKeyXIZHQADUOXREMU-UHFFFAOYSA-N
XLogP4.68
TPSA71.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
3-(furan-2-ylmethoxy)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102909348
N-(furan-2-ylmethyl)-2-quinolin-5-yloxyethanamine
CID 103045894
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62573014
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
CID 2364287
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54810139
N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 102910510
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine?
The IUPAC name of N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine (CID 118510456) is N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine.
What is the SMILES notation for N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine?
The canonical SMILES for N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine is COc1c(Nc2ccc3[nH]ccc3c2)cccc1OCCNCc1ccco1.
What is the InChIKey of N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine?
The InChIKey is XIZHQADUOXREMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-26-22-20(25-17-7-8-19-16(14-17)9-10-24-19)5-2-6-21(22)28-13-11-23-15-18-4-3-12-27-18/h2-10,12,14,23-25H,11,13,15H2,1H3.
What are the key properties of N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine?
N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine has a molecular weight of 377.44 g/mol, XLogP of 4.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine is sourced from PubChem (CID 118510456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).