N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine

C13H16BrNOS2 — CID 105010612

IUPACN-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscc1Br)c1sccc1OC
InChIInChI=1S/C13H16BrNOS2/c1-3-5-15-12(9-7-17-8-10(9)14)13-11(16-2)4-6-18-13/h4,6-8,12,15H,3,5H2,1-2H3
InChIKeyQXZWGJMGKDWOEM-UHFFFAOYSA-N
MW346.32 g/mol
LogP4.67
Rot. Bonds6

About N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine

N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 105010612) has the molecular formula C13H16BrNOS2 and a molecular weight of 346.32 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID105010612
Molecular FormulaC13H16BrNOS2
Molecular Weight346.32 g/mol
Exact Mass344.99
IUPAC NameN-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscc1Br)c1sccc1OC
InChIInChI=1S/C13H16BrNOS2/c1-3-5-15-12(9-7-17-8-10(9)14)13-11(16-2)4-6-18-13/h4,6-8,12,15H,3,5H2,1-2H3
InChIKeyQXZWGJMGKDWOEM-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525
N-[(5-bromo-2-methoxy-4-methylphenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80644169
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122006
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501
N-[(4-bromothiophen-3-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374783
N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115859772
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968
N-[(3-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 80645045
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115787088
N-[(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 107130279
N-[(3-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032918
N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 81124888

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine (CID 105010612) is N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cscc1Br)c1sccc1OC.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is QXZWGJMGKDWOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS2/c1-3-5-15-12(9-7-17-8-10(9)14)13-11(16-2)4-6-18-13/h4,6-8,12,15H,3,5H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 346.32 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105010612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).