4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol

C22H22N2O3 — CID 155537074

IUPAC4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
SMILESCOc1cccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c12
InChIInChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3
InChIKeyCZLSEABFCZWLAR-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.47
Rot. Bonds7

About 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol

4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol (PubChem CID 155537074) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
PubChem CID155537074
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
SMILESCOc1cccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c12
InChIInChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3
InChIKeyCZLSEABFCZWLAR-UHFFFAOYSA-N
XLogP4.47
TPSA70.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol with MolForge

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Related Compounds

Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
ZK 91296
CID 123700
4-(benzyloxy)-1H-indole-2-carboxylic acid
CID 2735497
1-(4-benzoylpiperazin-1-yl)-2-[7-(2-furyl)-4-methoxy-1H-indol-3-yl]ethane-1,2-dione
CID 507825
4,6-dihydroxy-2-((5-methoxy-2-(pyridin-3-yl)-1H-indol-3-yl)methylene)benzofuran-3(2H)-one
CID 46885565
N-(4-methoxybenzoyl)tryptophan
CID 2787197
(2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one
CID 1939911
2-[(R)-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-(furan-2-yl)methyl]prop-2-enamide
CID 168294718
3-(1H-Indol-3-yl)-2-[(2-methyl-5-phenyl-furan-3-carbonyl)-amino]-propionic acid
CID 2897252
3-(Trifluoroacetyl)-4-[2-(benzylamino)ethoxy]-1H-indole
CID 9928915
5-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11176778
3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11245732

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The IUPAC name of 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol (CID 155537074) is 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol.
What is the SMILES notation for 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The canonical SMILES for 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol is COc1cccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c12.
What is the InChIKey of 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The InChIKey is CZLSEABFCZWLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3.
What are the key properties of 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol has a molecular weight of 362.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(4-methoxy-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol is sourced from PubChem (CID 155537074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).