1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol

C19H20BrNO3S — CID 17475733

IUPAC1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESOC(COc1cccc(Br)c1)CN(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H20BrNO3S/c20-15-4-1-5-17(10-15)24-14-16(22)11-21(12-18-6-2-8-23-18)13-19-7-3-9-25-19/h1-10,16,22H,11-14H2
InChIKeyKEUWWMPPVFXOSW-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.55
Rot. Bonds9

About 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol

1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 17475733) has the molecular formula C19H20BrNO3S and a molecular weight of 422.34 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID17475733
Molecular FormulaC19H20BrNO3S
Molecular Weight422.34 g/mol
Exact Mass421.03
IUPAC Name1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESOC(COc1cccc(Br)c1)CN(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H20BrNO3S/c20-15-4-1-5-17(10-15)24-14-16(22)11-21(12-18-6-2-8-23-18)13-19-7-3-9-25-19/h1-10,16,22H,11-14H2
InChIKeyKEUWWMPPVFXOSW-UHFFFAOYSA-N
XLogP4.55
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 17475733) is 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol is OC(COc1cccc(Br)c1)CN(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is KEUWWMPPVFXOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3S/c20-15-4-1-5-17(10-15)24-14-16(22)11-21(12-18-6-2-8-23-18)13-19-7-3-9-25-19/h1-10,16,22H,11-14H2.
What are the key properties of 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol?
1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 422.34 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 17475733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).