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

C14H17ClN2OS — CID 103407087

IUPAC(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1csc(C(N)c2cncc(OC(C)C)c2)c1Cl
InChIInChI=1S/C14H17ClN2OS/c1-8(2)18-11-4-10(5-17-6-11)13(16)14-12(15)9(3)7-19-14/h4-8,13H,16H2,1-3H3
InChIKeyYDBCQKLZTGLNDX-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.94
Rot. Bonds4

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

(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 103407087) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID103407087
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCc1csc(C(N)c2cncc(OC(C)C)c2)c1Cl
InChIInChI=1S/C14H17ClN2OS/c1-8(2)18-11-4-10(5-17-6-11)13(16)14-12(15)9(3)7-19-14/h4-8,13H,16H2,1-3H3
InChIKeyYDBCQKLZTGLNDX-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 103405312
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(2,5-dichlorothiophen-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107968912
(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
(2,4-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027342
(2,4-dichlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027357
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 103406915
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829414
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine (CID 103407087) is (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is Cc1csc(C(N)c2cncc(OC(C)C)c2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is YDBCQKLZTGLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-8(2)18-11-4-10(5-17-6-11)13(16)14-12(15)9(3)7-19-14/h4-8,13H,16H2,1-3H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine?
(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 296.82 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 103407087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).