2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride

C18H21ClN2O2 — CID 139810355

IUPAC2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride
SMILESCOc1ccc2[nH]c(-c3ccc(O)c(N(C)C)c3)c(C)c2c1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-11-14-10-13(22-4)6-7-15(14)19-18(11)12-5-8-17(21)16(9-12)20(2)3;/h5-10,19,21H,1-4H3;1H
InChIKeyRULXYJPRKHGSHQ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.35
Rot. Bonds3

About 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride

2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride (PubChem CID 139810355) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride
PubChem CID139810355
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride
SMILESCOc1ccc2[nH]c(-c3ccc(O)c(N(C)C)c3)c(C)c2c1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-11-14-10-13(22-4)6-7-15(14)19-18(11)12-5-8-17(21)16(9-12)20(2)3;/h5-10,19,21H,1-4H3;1H
InChIKeyRULXYJPRKHGSHQ-UHFFFAOYSA-N
XLogP4.35
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-1H-indol-5-ol
CID 142624936
2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole
CID 2741187
4-[3-(4-aminobutyl)-5-methoxy-1H-indol-2-yl]-N,N-dimethylaniline
CID 3997182
6-methoxy-2-(3-methoxyphenyl)-3-methyl-1H-indole
CID 13408302
6-methoxy-3-methyl-9H-carbazol-2-ol
CID 10353687
6-methoxy-9H-carbazol-3-ol
CID 142959347
1-butyl-4-(5-methoxy-3-methyl-1H-indol-2-yl)-N,N-dimethylcyclohex-3-en-1-amine
CID 57475161
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
CID 135534458
[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 20755479
8-methoxy-6,11-dihydro-5H-benzo[a]carbazol-4-ol
CID 121005504
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride?
The IUPAC name of 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride (CID 139810355) is 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride is COc1ccc2[nH]c(-c3ccc(O)c(N(C)C)c3)c(C)c2c1.Cl.
What is the InChIKey of 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride?
The InChIKey is RULXYJPRKHGSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c1-11-14-10-13(22-4)6-7-15(14)19-18(11)12-5-8-17(21)16(9-12)20(2)3;/h5-10,19,21H,1-4H3;1H.
What are the key properties of 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride?
2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(5-methoxy-3-methyl-1H-indol-2-yl)phenol;hydrochloride is sourced from PubChem (CID 139810355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).