2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine

C15H19BrN2OS — CID 61487551

IUPAC2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2c(Br)cccc2CCN)cs1
InChIInChI=1S/C15H19BrN2OS/c1-2-4-14-18-12(10-20-14)9-19-15-11(7-8-17)5-3-6-13(15)16/h3,5-6,10H,2,4,7-9,17H2,1H3
InChIKeyKXWPAKOWVSQQOX-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.94
Rot. Bonds7

About 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine

2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 61487551) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID61487551
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2c(Br)cccc2CCN)cs1
InChIInChI=1S/C15H19BrN2OS/c1-2-4-14-18-12(10-20-14)9-19-15-11(7-8-17)5-3-6-13(15)16/h3,5-6,10H,2,4,7-9,17H2,1H3
InChIKeyKXWPAKOWVSQQOX-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487604
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345
[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487304
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487504
2-[3-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 112615108
3,5-dibromo-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 107738309
2-[3-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 61391970

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (CID 61487551) is 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is CCCc1nc(COc2c(Br)cccc2CCN)cs1.
What is the InChIKey of 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is KXWPAKOWVSQQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-2-4-14-18-12(10-20-14)9-19-15-11(7-8-17)5-3-6-13(15)16/h3,5-6,10H,2,4,7-9,17H2,1H3.
What are the key properties of 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 355.30 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 61487551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).