N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine

C15H19BrN2OS — CID 79794186

IUPACN-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCc2sccc2Br)cn1
InChIInChI=1S/C15H19BrN2OS/c1-15(2,3)18-8-11-4-5-12(9-17-11)19-10-14-13(16)6-7-20-14/h4-7,9,18H,8,10H2,1-3H3
InChIKeyGUXGVUOXJWBXTE-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.37
Rot. Bonds5

About N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 79794186) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID79794186
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCc2sccc2Br)cn1
InChIInChI=1S/C15H19BrN2OS/c1-15(2,3)18-8-11-4-5-12(9-17-11)19-10-14-13(16)6-7-20-14/h4-7,9,18H,8,10H2,1-3H3
InChIKeyGUXGVUOXJWBXTE-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794312
2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794362
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
(1S)-1-[4-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78932867
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492175
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79784061
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 79794973
N-[[5-[(3-ethylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788513
N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79783662
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 106704714

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 79794186) is N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OCc2sccc2Br)cn1.
What is the InChIKey of N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GUXGVUOXJWBXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-15(2,3)18-8-11-4-5-12(9-17-11)19-10-14-13(16)6-7-20-14/h4-7,9,18H,8,10H2,1-3H3.
What are the key properties of N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 355.30 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79794186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).