N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine

C17H20BrNOS — CID 115841189

IUPACN-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H20BrNOS/c1-2-7-19-16(9-15-5-6-17(18)21-15)12-3-4-13-10-20-11-14(13)8-12/h3-6,8,16,19H,2,7,9-11H2,1H3
InChIKeyNPALITZCVAXQKQ-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.82
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine

N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine (PubChem CID 115841189) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine
PubChem CID115841189
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H20BrNOS/c1-2-7-19-16(9-15-5-6-17(18)21-15)12-3-4-13-10-20-11-14(13)8-12/h3-6,8,16,19H,2,7,9-11H2,1H3
InChIKeyNPALITZCVAXQKQ-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 115840948
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-[1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 66425252
1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037474
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 105055041
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115841239
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
N-[(4-bromothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 105010828
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487
N-[1-(5-bromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136104

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine (CID 115841189) is N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)s1)c1ccc2c(c1)COC2.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine?
The InChIKey is NPALITZCVAXQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-2-7-19-16(9-15-5-6-17(18)21-15)12-3-4-13-10-20-11-14(13)8-12/h3-6,8,16,19H,2,7,9-11H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine?
N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine has a molecular weight of 366.32 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115841189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).