1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine

C9H13BrClNS — CID 80530869

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H13BrClNS/c1-3-5(2)8(12)7-4-6(11)9(10)13-7/h4-5,8H,3,12H2,1-2H3
InChIKeyVKWHGZFZOVPGME-UHFFFAOYSA-N
MW282.63 g/mol
LogP4.21
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine

1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine (PubChem CID 80530869) has the molecular formula C9H13BrClNS and a molecular weight of 282.63 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
PubChem CID80530869
Molecular FormulaC9H13BrClNS
Molecular Weight282.63 g/mol
Exact Mass280.96
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H13BrClNS/c1-3-5(2)8(12)7-4-6(11)9(10)13-7/h4-5,8H,3,12H2,1-2H3
InChIKeyVKWHGZFZOVPGME-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-amine
CID 80531015
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
CID 79992174
1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
CID 114752618
1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 114874548
1-(5-bromo-4-chlorothiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 80530973
(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine
CID 80530800
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine (CID 80530869) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine?
The InChIKey is VKWHGZFZOVPGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClNS/c1-3-5(2)8(12)7-4-6(11)9(10)13-7/h4-5,8H,3,12H2,1-2H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine?
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine has a molecular weight of 282.63 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 80530869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).