N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

C16H20BrNOS — CID 115787088

IUPACN-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1sccc1OC
InChIInChI=1S/C16H20BrNOS/c1-3-9-18-14(16-15(19-2)8-10-20-16)11-12-6-4-5-7-13(12)17/h4-8,10,14,18H,3,9,11H2,1-2H3
InChIKeyVRMFDVQHBFWDPJ-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.80
Rot. Bonds7

About N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115787088) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
PubChem CID115787088
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC NameN-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1sccc1OC
InChIInChI=1S/C16H20BrNOS/c1-3-9-18-14(16-15(19-2)8-10-20-16)11-12-6-4-5-7-13(12)17/h4-8,10,14,18H,3,9,11H2,1-2H3
InChIKeyVRMFDVQHBFWDPJ-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 105032431
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859271
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455
N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 103043241
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81122254

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine (CID 115787088) is N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)c1sccc1OC.
What is the InChIKey of N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is VRMFDVQHBFWDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-3-9-18-14(16-15(19-2)8-10-20-16)11-12-6-4-5-7-13(12)17/h4-8,10,14,18H,3,9,11H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 354.31 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115787088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).