N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

C16H21BrN2OS — CID 80722903

IUPACN-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1COc1cncc(Br)c1
InChIInChI=1S/C16H21BrN2OS/c1-11-12(5-15(21-11)9-19-16(2,3)4)10-20-14-6-13(17)7-18-8-14/h5-8,19H,9-10H2,1-4H3
InChIKeyDQPLUNYORHEFAF-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.68
Rot. Bonds5

About N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 80722903) has the molecular formula C16H21BrN2OS and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID80722903
Molecular FormulaC16H21BrN2OS
Molecular Weight369.33 g/mol
Exact Mass368.06
IUPAC NameN-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1COc1cncc(Br)c1
InChIInChI=1S/C16H21BrN2OS/c1-11-12(5-15(21-11)9-19-16(2,3)4)10-20-14-6-13(17)7-18-8-14/h5-8,19H,9-10H2,1-4H3
InChIKeyDQPLUNYORHEFAF-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

1-[4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728966
1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
CID 107558966
2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80733906
2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729172
2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 102986908
2-methyl-N-[[5-methyl-4-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729153
1-[(5-bromo-3-pyridinyl)oxy]-3-(tert-butylamino)propan-2-ol
CID 115476145
N-[[5-methyl-4-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80728873
N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107558967
2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 103285559
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727183
[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
CID 107558968

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 80722903) is N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is Cc1sc(CNC(C)(C)C)cc1COc1cncc(Br)c1.
What is the InChIKey of N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DQPLUNYORHEFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2OS/c1-11-12(5-15(21-11)9-19-16(2,3)4)10-20-14-6-13(17)7-18-8-14/h5-8,19H,9-10H2,1-4H3.
What are the key properties of N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 369.33 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80722903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).