2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride

C11H13ClF2N2O — CID 73424996

IUPAC2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCOc1ccc2[nH]cc(C(F)(F)CN)c2c1.Cl
InChIInChI=1S/C11H12F2N2O.ClH/c1-16-7-2-3-10-8(4-7)9(5-15-10)11(12,13)6-14;/h2-5,15H,6,14H2,1H3;1H
InChIKeyOTHDQSCCDQIRPW-UHFFFAOYSA-N
MW262.69 g/mol
LogP2.65
Rot. Bonds3

About 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride

2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 73424996) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID73424996
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCOc1ccc2[nH]cc(C(F)(F)CN)c2c1.Cl
InChIInChI=1S/C11H12F2N2O.ClH/c1-16-7-2-3-10-8(4-7)9(5-15-10)11(12,13)6-14;/h2-5,15H,6,14H2,1H3;1H
InChIKeyOTHDQSCCDQIRPW-UHFFFAOYSA-N
XLogP2.65
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
CID 11076269
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
ethyl 4,4,4-trifluoro-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)butanoate
CID 23237337
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
CID 135044105
2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine
CID 13089119
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
(S)-(5-methoxy-1H-indol-3-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239459

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride (CID 73424996) is 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride is COc1ccc2[nH]cc(C(F)(F)CN)c2c1.Cl.
What is the InChIKey of 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is OTHDQSCCDQIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O.ClH/c1-16-7-2-3-10-8(4-7)9(5-15-10)11(12,13)6-14;/h2-5,15H,6,14H2,1H3;1H.
What are the key properties of 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride?
2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 262.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 73424996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).