2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride

C18H19ClF2N2O2 — CID 170892608

IUPAC2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride
SMILESCl.Cn1c(Oc2ccc(F)cc2F)c(CC(N)CO)c2ccccc21
InChIInChI=1S/C18H18F2N2O2.ClH/c1-22-16-5-3-2-4-13(16)14(9-12(21)10-23)18(22)24-17-7-6-11(19)8-15(17)20;/h2-8,12,23H,9-10,21H2,1H3;1H
InChIKeyQHUBBJVQGBZHOZ-UHFFFAOYSA-N
MW368.81 g/mol
LogP3.53
Rot. Bonds5

About 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride

2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride (PubChem CID 170892608) has the molecular formula C18H19ClF2N2O2 and a molecular weight of 368.81 g/mol. Its IUPAC name is 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride
PubChem CID170892608
Molecular FormulaC18H19ClF2N2O2
Molecular Weight368.81 g/mol
Exact Mass368.11
IUPAC Name2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride
SMILESCl.Cn1c(Oc2ccc(F)cc2F)c(CC(N)CO)c2ccccc21
InChIInChI=1S/C18H18F2N2O2.ClH/c1-22-16-5-3-2-4-13(16)14(9-12(21)10-23)18(22)24-17-7-6-11(19)8-15(17)20;/h2-8,12,23H,9-10,21H2,1H3;1H
InChIKeyQHUBBJVQGBZHOZ-UHFFFAOYSA-N
XLogP3.53
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
CID 170892609
[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
CID 170871680
methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate
CID 170883448
2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 170892703
4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
CID 170870926
2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol
CID 170893583
(E)-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]prop-2-enoic acid
CID 170872297
(E)-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]-2-methylprop-2-enoic acid
CID 170873356
2-amino-3-[2-(2-chlorophenyl)sulfanyl-1-methylindol-3-yl]propan-1-ol;hydrochloride
CID 170892547
2-amino-3-(1-methylindol-2-yl)propan-1-ol;ethane
CID 143481750
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride (CID 170892608) is 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride is Cl.Cn1c(Oc2ccc(F)cc2F)c(CC(N)CO)c2ccccc21.
What is the InChIKey of 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride?
The InChIKey is QHUBBJVQGBZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2.ClH/c1-22-16-5-3-2-4-13(16)14(9-12(21)10-23)18(22)24-17-7-6-11(19)8-15(17)20;/h2-8,12,23H,9-10,21H2,1H3;1H.
What are the key properties of 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride?
2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride has a molecular weight of 368.81 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170892608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).