[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine

C15H20N2OS — CID 80729712

IUPAC[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COCCCc1ccncc1
InChIInChI=1S/C15H20N2OS/c1-12-14(9-15(10-16)19-12)11-18-8-2-3-13-4-6-17-7-5-13/h4-7,9H,2-3,8,10-11,16H2,1H3
InChIKeyPROLJPZOORGQSW-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.06
Rot. Bonds7

About [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine

[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine (PubChem CID 80729712) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
PubChem CID80729712
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COCCCc1ccncc1
InChIInChI=1S/C15H20N2OS/c1-12-14(9-15(10-16)19-12)11-18-8-2-3-13-4-6-17-7-5-13/h4-7,9H,2-3,8,10-11,16H2,1H3
InChIKeyPROLJPZOORGQSW-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.06
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-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80720966
[4-(3-methoxypropoxymethyl)-5-methylthiophen-2-yl]methanamine
CID 80729691
[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
CID 80729173
3-[[5-(aminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 80728700
[5-fluoro-2-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 63289557
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80728285
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43443918
[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine
CID 82006292
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43260207
2,2-dimethyl-4-(3-pyridin-4-ylpropoxy)butan-1-amine
CID 65248803
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine (CID 80729712) is [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine is Cc1sc(CN)cc1COCCCc1ccncc1.
What is the InChIKey of [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is PROLJPZOORGQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12-14(9-15(10-16)19-12)11-18-8-2-3-13-4-6-17-7-5-13/h4-7,9H,2-3,8,10-11,16H2,1H3.
What are the key properties of [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine?
[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 80729712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).