1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine

C10H8Br2ClNS2 — CID 80530701

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(Br)s1)c1sccc1Br
InChIInChI=1S/C10H8Br2ClNS2/c1-14-8(9-5(11)2-3-15-9)7-4-6(13)10(12)16-7/h2-4,8,14H,1H3
InChIKeyPIEIPLGQSNUVQA-UHFFFAOYSA-N
MW401.58 g/mol
LogP5.30
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine

1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine (PubChem CID 80530701) has the molecular formula C10H8Br2ClNS2 and a molecular weight of 401.58 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
PubChem CID80530701
Molecular FormulaC10H8Br2ClNS2
Molecular Weight401.58 g/mol
Exact Mass398.82
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)c(Br)s1)c1sccc1Br
InChIInChI=1S/C10H8Br2ClNS2/c1-14-8(9-5(11)2-3-15-9)7-4-6(13)10(12)16-7/h2-4,8,14H,1H3
InChIKeyPIEIPLGQSNUVQA-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine
CID 80530685
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190
1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80535100
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 80531186
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 80531359
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 114019799
1-(4,5-dibromothiophen-2-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 80533033
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 80531204
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998838
1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 63796523
1-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105173140
1-(4-bromo-3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 81291392

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine (CID 80530701) is 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine is CNC(c1cc(Cl)c(Br)s1)c1sccc1Br.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine?
The InChIKey is PIEIPLGQSNUVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2ClNS2/c1-14-8(9-5(11)2-3-15-9)7-4-6(13)10(12)16-7/h2-4,8,14H,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine has a molecular weight of 401.58 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 80530701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).