1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol

C18H22N2O — CID 62096876

IUPAC1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol
SMILESCC(O)c1ccccc1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C18H22N2O/c1-13(21)16-5-3-4-6-17(16)19-12-14-7-8-18-15(11-14)9-10-20(18)2/h3-8,11,13,19,21H,9-10,12H2,1-2H3
InChIKeyKIZGWKVODHOQKZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.34
Rot. Bonds4

About 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol

1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol (PubChem CID 62096876) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol
PubChem CID62096876
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol
SMILESCC(O)c1ccccc1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C18H22N2O/c1-13(21)16-5-3-4-6-17(16)19-12-14-7-8-18-15(11-14)9-10-20(18)2/h3-8,11,13,19,21H,9-10,12H2,1-2H3
InChIKeyKIZGWKVODHOQKZ-UHFFFAOYSA-N
XLogP3.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 55034920
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094936
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-nitroaniline
CID 62096511
3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107629922
(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
2-fluoro-5-[[2-(1-hydroxyethyl)anilino]methyl]benzonitrile
CID 107936215
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol?
The IUPAC name of 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol (CID 62096876) is 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol is CC(O)c1ccccc1NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol?
The InChIKey is KIZGWKVODHOQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(21)16-5-3-4-6-17(16)19-12-14-7-8-18-15(11-14)9-10-20(18)2/h3-8,11,13,19,21H,9-10,12H2,1-2H3.
What are the key properties of 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol?
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol has a molecular weight of 282.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 62096876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).