N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine

C14H18N2OS — CID 61375574

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCc1ccsc1CNc1cccnc1OC(C)C
InChIInChI=1S/C14H18N2OS/c1-10(2)17-14-12(5-4-7-15-14)16-9-13-11(3)6-8-18-13/h4-8,10,16H,9H2,1-3H3
InChIKeyOQGFXSMRZNXUJA-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.85
Rot. Bonds5

About N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine

N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 61375574) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID61375574
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCc1ccsc1CNc1cccnc1OC(C)C
InChIInChI=1S/C14H18N2OS/c1-10(2)17-14-12(5-4-7-15-14)16-9-13-11(3)6-8-18-13/h4-8,10,16H,9H2,1-3H3
InChIKeyOQGFXSMRZNXUJA-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
CID 103243918
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
3-methyl-2-propan-2-yloxypyridine
CID 21334096
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375775
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 61375574) is N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine is Cc1ccsc1CNc1cccnc1OC(C)C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is OQGFXSMRZNXUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)17-14-12(5-4-7-15-14)16-9-13-11(3)6-8-18-13/h4-8,10,16H,9H2,1-3H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 262.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 61375574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).