2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol

C14H20N2O2 — CID 82498764

IUPAC2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol
SMILESCOc1cc(C)cc2c(C(O)CN)c(C)n(C)c12
InChIInChI=1S/C14H20N2O2/c1-8-5-10-13(11(17)7-15)9(2)16(3)14(10)12(6-8)18-4/h5-6,11,17H,7,15H2,1-4H3
InChIKeyVUTKTLFICPAMHK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol

2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol (PubChem CID 82498764) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol
PubChem CID82498764
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol
SMILESCOc1cc(C)cc2c(C(O)CN)c(C)n(C)c12
InChIInChI=1S/C14H20N2O2/c1-8-5-10-13(11(17)7-15)9(2)16(3)14(10)12(6-8)18-4/h5-6,11,17H,7,15H2,1-4H3
InChIKeyVUTKTLFICPAMHK-UHFFFAOYSA-N
XLogP1.80
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82501140
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
CID 82494429
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
3-methyl-2-(1,2,5,7-tetramethylindol-3-yl)butan-1-amine
CID 82500229
3-(7-methoxy-1,3,5-trimethylindol-2-yl)propanoic acid
CID 82500848
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742499
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
5-methoxy-4,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
CID 84740791

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol (CID 82498764) is 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol is COc1cc(C)cc2c(C(O)CN)c(C)n(C)c12.
What is the InChIKey of 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol?
The InChIKey is VUTKTLFICPAMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-8-5-10-13(11(17)7-15)9(2)16(3)14(10)12(6-8)18-4/h5-6,11,17H,7,15H2,1-4H3.
What are the key properties of 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol?
2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol has a molecular weight of 248.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol is sourced from PubChem (CID 82498764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).