(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

C14H17BrN2OS — CID 105027542

IUPAC(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1cc(C(N)c2cncc(OC(C)C)c2)sc1Br
InChIInChI=1S/C14H17BrN2OS/c1-8(2)18-11-5-10(6-17-7-11)13(16)12-4-9(3)14(15)19-12/h4-8,13H,16H2,1-3H3
InChIKeyIVSIIGMRRKLSPY-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.05
Rot. Bonds4

About (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027542) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027542
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1cc(C(N)c2cncc(OC(C)C)c2)sc1Br
InChIInChI=1S/C14H17BrN2OS/c1-8(2)18-11-5-10(6-17-7-11)13(16)12-4-9(3)14(15)19-12/h4-8,13H,16H2,1-3H3
InChIKeyIVSIIGMRRKLSPY-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330550
(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027557
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107968912
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine
CID 105026739
(5-bromo-4-methylthiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 79981203
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469
(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 105026193

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027542) is (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is Cc1cc(C(N)c2cncc(OC(C)C)c2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is IVSIIGMRRKLSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-8(2)18-11-5-10(6-17-7-11)13(16)12-4-9(3)14(15)19-12/h4-8,13H,16H2,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 341.27 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).