(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

C13H14Cl2N2OS — CID 107968912

IUPAC(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCC(C)Oc1cncc(C(N)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H14Cl2N2OS/c1-7(2)18-9-3-8(5-17-6-9)12(16)10-4-11(14)19-13(10)15/h3-7,12H,16H2,1-2H3
InChIKeySEOIRGLSPYWRNU-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.29
Rot. Bonds4

About (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine

(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 107968912) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID107968912
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCC(C)Oc1cncc(C(N)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H14Cl2N2OS/c1-7(2)18-9-3-8(5-17-6-9)12(16)10-4-11(14)19-13(10)15/h3-7,12H,16H2,1-2H3
InChIKeySEOIRGLSPYWRNU-UHFFFAOYSA-N
XLogP4.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027357
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027542
(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027557
(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
1-(2,5-dichlorothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 107968897
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(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
(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829414

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 107968912) is (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is CC(C)Oc1cncc(C(N)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is SEOIRGLSPYWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-7(2)18-9-3-8(5-17-6-9)12(16)10-4-11(14)19-13(10)15/h3-7,12H,16H2,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 317.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 107968912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).