2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol

C15H19BrN2O2S — CID 23647937

IUPAC2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol
SMILESNCCOc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C15H19BrN2O2S/c16-12-7-15(21-10-12)13(19)9-18-8-11-3-1-2-4-14(11)20-6-5-17/h1-4,7,10,13,18-19H,5-6,8-9,17H2
InChIKeyBJPCOPXWUUFQEY-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.67
Rot. Bonds8

About 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol

2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol (PubChem CID 23647937) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol
PubChem CID23647937
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC Name2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol
SMILESNCCOc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C15H19BrN2O2S/c16-12-7-15(21-10-12)13(19)9-18-8-11-3-1-2-4-14(11)20-6-5-17/h1-4,7,10,13,18-19H,5-6,8-9,17H2
InChIKeyBJPCOPXWUUFQEY-UHFFFAOYSA-N
XLogP2.67
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol?
The IUPAC name of 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol (CID 23647937) is 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol?
The canonical SMILES for 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol is NCCOc1ccccc1CNCC(O)c1cc(Br)cs1.
What is the InChIKey of 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol?
The InChIKey is BJPCOPXWUUFQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c16-12-7-15(21-10-12)13(19)9-18-8-11-3-1-2-4-14(11)20-6-5-17/h1-4,7,10,13,18-19H,5-6,8-9,17H2.
What are the key properties of 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol?
2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol has a molecular weight of 371.30 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethoxy)phenyl]methylamino]-1-(4-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 23647937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).