N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine

C16H19Br2NOS — CID 65325570

IUPACN-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(OC)ccc1Br)c1ccc(Br)s1
InChIInChI=1S/C16H19Br2NOS/c1-3-8-19-14(15-6-7-16(18)21-15)10-11-9-12(20-2)4-5-13(11)17/h4-7,9,14,19H,3,8,10H2,1-2H3
InChIKeyQNJFQXXNNMAKNL-UHFFFAOYSA-N
MW433.21 g/mol
LogP5.57
Rot. Bonds7

About N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine

N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 65325570) has the molecular formula C16H19Br2NOS and a molecular weight of 433.21 g/mol. Its IUPAC name is N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine
PubChem CID65325570
Molecular FormulaC16H19Br2NOS
Molecular Weight433.21 g/mol
Exact Mass430.96
IUPAC NameN-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(OC)ccc1Br)c1ccc(Br)s1
InChIInChI=1S/C16H19Br2NOS/c1-3-8-19-14(15-6-7-16(18)21-15)10-11-9-12(20-2)4-5-13(11)17/h4-7,9,14,19H,3,8,10H2,1-2H3
InChIKeyQNJFQXXNNMAKNL-UHFFFAOYSA-N
XLogP5.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.21
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115862379
N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105151019
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115841074
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62605837
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 62605864
N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 81302393
N-[2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80627452
N-[1-(5-bromothiophen-2-yl)-2-propoxyethyl]propan-1-amine
CID 79575330
1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
CID 60787472
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine (CID 65325570) is N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(OC)ccc1Br)c1ccc(Br)s1.
What is the InChIKey of N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is QNJFQXXNNMAKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2NOS/c1-3-8-19-14(15-6-7-16(18)21-15)10-11-9-12(20-2)4-5-13(11)17/h4-7,9,14,19H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine?
N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 433.21 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65325570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).