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

C18H18F2N2O2 — CID 170892609

IUPAC2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
SMILESCn1c(Oc2ccc(F)cc2F)c(CC(N)CO)c2ccccc21
InChIInChI=1S/C18H18F2N2O2/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
InChIKeyOTPPPMLQOSQFBA-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.11
Rot. Bonds5

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

2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol (PubChem CID 170892609) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
PubChem CID170892609
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
SMILESCn1c(Oc2ccc(F)cc2F)c(CC(N)CO)c2ccccc21
InChIInChI=1S/C18H18F2N2O2/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
InChIKeyOTPPPMLQOSQFBA-UHFFFAOYSA-N
XLogP3.11
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.11
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;hydrochloride
CID 170892608
[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
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
2-amino-3-(2-chloro-1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 170892703
(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
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
3-[2-(4-fluorophenoxy)-1-methylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880497

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol (CID 170892609) is 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol is 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?
The InChIKey is OTPPPMLQOSQFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/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.
What are the key properties of 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol?
2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol has a molecular weight of 332.35 g/mol, XLogP of 3.11, 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 is sourced from PubChem (CID 170892609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).