N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine

C16H22N2OS — CID 80729782

IUPACN-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COc2ccc(C)nc2)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-4-7-17-10-16-8-14(13(3)20-16)11-19-15-6-5-12(2)18-9-15/h5-6,8-9,17H,4,7,10-11H2,1-3H3
InChIKeyVTPUUWOIYAGIRP-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.84
Rot. Bonds7

About N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 80729782) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID80729782
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COc2ccc(C)nc2)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-4-7-17-10-16-8-14(13(3)20-16)11-19-15-6-5-12(2)18-9-15/h5-6,8-9,17H,4,7,10-11H2,1-3H3
InChIKeyVTPUUWOIYAGIRP-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methyl-4-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80728873
N-[[2-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62441237
N-[[4-[(2,5-difluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80722105
N-[[5-methyl-4-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80728494
N-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 81342343
N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine
CID 115464435
N-[[5-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80722414
N-[[4-[(5-bromo-2-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80723571
N-[[5-methyl-4-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80729235
N-[[5-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80734065
N-[[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 82006891
N-[[5-methyl-4-(3,3,3-trifluoropropoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 82957315

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (CID 80729782) is N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(COc2ccc(C)nc2)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is VTPUUWOIYAGIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-7-17-10-16-8-14(13(3)20-16)11-19-15-6-5-12(2)18-9-15/h5-6,8-9,17H,4,7,10-11H2,1-3H3.
What are the key properties of N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80729782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).