N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine

C17H22BrNOS — CID 102947829

IUPACN-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Br)cc1OCCc1ccsc1
InChIInChI=1S/C17H22BrNOS/c1-3-8-19-13(2)16-5-4-15(18)11-17(16)20-9-6-14-7-10-21-12-14/h4-5,7,10-13,19H,3,6,8-9H2,1-2H3
InChIKeyODRNNZOXVGQWOY-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.19
Rot. Bonds8

About N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine

N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 102947829) has the molecular formula C17H22BrNOS and a molecular weight of 368.34 g/mol. Its IUPAC name is N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine
PubChem CID102947829
Molecular FormulaC17H22BrNOS
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC NameN-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Br)cc1OCCc1ccsc1
InChIInChI=1S/C17H22BrNOS/c1-3-8-19-13(2)16-5-4-15(18)11-17(16)20-9-6-14-7-10-21-12-14/h4-5,7,10-13,19H,3,6,8-9H2,1-2H3
InChIKeyODRNNZOXVGQWOY-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine 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

1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429
1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol
CID 102947867
N-[1-[4-bromo-2-(furan-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82975485
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
N-[1-(5-bromo-2-butoxyphenyl)ethyl]propan-1-amine
CID 63500692
1-[4-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 103000046
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
N-[1-[2-fluoro-4-(thiophen-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 107717923
1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 102947830

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine (CID 102947829) is N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Br)cc1OCCc1ccsc1.
What is the InChIKey of N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is ODRNNZOXVGQWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNOS/c1-3-8-19-13(2)16-5-4-15(18)11-17(16)20-9-6-14-7-10-21-12-14/h4-5,7,10-13,19H,3,6,8-9H2,1-2H3.
What are the key properties of N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 368.34 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-bromo-2-(2-thiophen-3-ylethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 102947829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).