1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine

C12H13BrN2S — CID 66449000

IUPAC1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2S/c1-8-3-2-6-15-10(8)7-9(14)11-4-5-12(13)16-11/h2-6,9H,7,14H2,1H3
InChIKeyDDKVTHXMCZTCRS-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.46
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine

1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66449000) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66449000
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2S/c1-8-3-2-6-15-10(8)7-9(14)11-4-5-12(13)16-11/h2-6,9H,7,14H2,1H3
InChIKeyDDKVTHXMCZTCRS-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446478
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773
2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66460200
1-(3,5-difluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448420
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 115369502
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
1-(furan-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448619
1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448229
1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448228
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine (CID 66449000) is 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine is Cc1cccnc1CC(N)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is DDKVTHXMCZTCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-3-2-6-15-10(8)7-9(14)11-4-5-12(13)16-11/h2-6,9H,7,14H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine?
1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66449000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).