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

C14H18N2OS — CID 105027557

IUPAC(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cncc(OC(C)C)c2)s1
InChIInChI=1S/C14H18N2OS/c1-9(2)17-12-6-11(7-16-8-12)14(15)13-5-4-10(3)18-13/h4-9,14H,15H2,1-3H3
InChIKeyOTRRETJPTSHOKB-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.29
Rot. Bonds4

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

(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 105027557) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID105027557
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cncc(OC(C)C)c2)s1
InChIInChI=1S/C14H18N2OS/c1-9(2)17-12-6-11(7-16-8-12)14(15)13-5-4-10(3)18-13/h4-9,14H,15H2,1-3H3
InChIKeyOTRRETJPTSHOKB-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-3-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 105026193
(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027542
(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-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(5-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 43198853
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 103407087
(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027357
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 105027557) is (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is Cc1ccc(C(N)c2cncc(OC(C)C)c2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is OTRRETJPTSHOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(2)17-12-6-11(7-16-8-12)14(15)13-5-4-10(3)18-13/h4-9,14H,15H2,1-3H3.
What are the key properties of (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105027557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).