2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine

C14H15BrN2S — CID 64630643

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CSc1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2S/c1-10-4-2-3-5-12(10)13(16)9-18-14-7-6-11(15)8-17-14/h2-8,13H,9,16H2,1H3
InChIKeyKFYDDYXHKZXWKK-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.94
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine

2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine (PubChem CID 64630643) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine
PubChem CID64630643
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CSc1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2S/c1-10-4-2-3-5-12(10)13(16)9-18-14-7-6-11(15)8-17-14/h2-8,13H,9,16H2,1H3
InChIKeyKFYDDYXHKZXWKK-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628452
(1R)-1-[2-[(5-bromo-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 78992842
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64629634
methyl 3-[(5-bromo-2-pyridinyl)sulfanyl]-2-phenylpropanoate
CID 64566635
2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
CID 117243728
3-[(5-bromo-2-pyridinyl)sulfanyl]-N'-hydroxy-2-methylpropanimidamide
CID 77037125
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
2-[(5-bromo-2-pyridinyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
CID 103371691
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64629426
(1S,4R)-4-[6-(cyclopropylmethylsulfanyl)-3-pyridinyl]-1-(2-methylphenyl)hexan-1-amine
CID 167191180
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine
CID 64647808

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine (CID 64630643) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CSc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is KFYDDYXHKZXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c1-10-4-2-3-5-12(10)13(16)9-18-14-7-6-11(15)8-17-14/h2-8,13H,9,16H2,1H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine?
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 323.26 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).