2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol

C11H15ClN2O2 — CID 83868546

IUPAC2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol
SMILESCOc1ccc(Cl)c2c1NCC2C(N)CO
InChIInChI=1S/C11H15ClN2O2/c1-16-9-3-2-7(12)10-6(8(13)5-15)4-14-11(9)10/h2-3,6,8,14-15H,4-5,13H2,1H3
InChIKeyOWXPFWQTEGRFDJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol

2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol (PubChem CID 83868546) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol
PubChem CID83868546
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol
SMILESCOc1ccc(Cl)c2c1NCC2C(N)CO
InChIInChI=1S/C11H15ClN2O2/c1-16-9-3-2-7(12)10-6(8(13)5-15)4-14-11(9)10/h2-3,6,8,14-15H,4-5,13H2,1H3
InChIKeyOWXPFWQTEGRFDJ-UHFFFAOYSA-N
XLogP1.18
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 83868514
3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
CID 82234613
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
CID 171257518
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 117460411
3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
CID 84668692
(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 101139844
2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
CID 82081026
2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one
CID 116920607
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol
CID 131188057
5-chloro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887640
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol (CID 83868546) is 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol is COc1ccc(Cl)c2c1NCC2C(N)CO.
What is the InChIKey of 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol?
The InChIKey is OWXPFWQTEGRFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-9-3-2-7(12)10-6(8(13)5-15)4-14-11(9)10/h2-3,6,8,14-15H,4-5,13H2,1H3.
What are the key properties of 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol?
2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol has a molecular weight of 242.71 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 83868546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).