1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride

C18H21ClN2O2 — CID 2970155

IUPAC1-indol-1-yl-3-(4-methoxyanilino)propan-2-ol;hydrochloride
SMILESCOC1=CC=C(C=C1)NCC(CN2C=CC3=CC=CC=C32)O.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-22-17-8-6-15(7-9-17)19-12-16(21)13-20-11-10-14-4-2-3-5-18(14)20;/h2-11,16,19,21H,12-13H2,1H3;1H
InChIKeyKVZXZBYQUAANPQ-UHFFFAOYSA-N
MW332.80 g/mol
LogP—
Rot. Bonds6

About 1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride

1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride (PubChem CID 2970155) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.80 g/mol. Its IUPAC name is 1-indol-1-yl-3-(4-methoxyanilino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride
PubChem CID2970155
Molecular FormulaC18H21ClN2O2
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name1-indol-1-yl-3-(4-methoxyanilino)propan-2-ol;hydrochloride
SMILESCOC1=CC=C(C=C1)NCC(CN2C=CC3=CC=CC=C32)O.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-22-17-8-6-15(7-9-17)19-12-16(21)13-20-11-10-14-4-2-3-5-18(14)20;/h2-11,16,19,21H,12-13H2,1H3;1H
InChIKeyKVZXZBYQUAANPQ-UHFFFAOYSA-N
XLogP—
TPSA46.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity331

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

CID 1832
CID 1832
CID 1833
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CID 51045
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CID 151182
CID 151182
CID 108029
CID 108029
CID 12835
CID 12835
CID 13872
CID 13872
CID 27965
CID 27965
CID 89576
CID 89576
CID 50878551
CID 50878551
CID 16184
CID 16184
CID 14011047
CID 14011047

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride?
The IUPAC name of 1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride (CID 2970155) is 1-indol-1-yl-3-(4-methoxyanilino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride?
The canonical SMILES for 1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride is COC1=CC=C(C=C1)NCC(CN2C=CC3=CC=CC=C32)O.Cl.
What is the InChIKey of 1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride?
The InChIKey is KVZXZBYQUAANPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c1-22-17-8-6-15(7-9-17)19-12-16(21)13-20-11-10-14-4-2-3-5-18(14)20;/h2-11,16,19,21H,12-13H2,1H3;1H.
What are the key properties of 1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride?
1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride has a molecular weight of 332.80 g/mol, XLogP of not available, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-1-yl)-3-((4-methoxyphenyl)amino)propan-2-ol hydrochloride is sourced from PubChem (CID 2970155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).