1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine

C9H15NOS — CID 116914575

IUPAC1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCOC(c1sccc1C)N(C)C
InChIInChI=1S/C9H15NOS/c1-7-5-6-12-8(7)9(11-4)10(2)3/h5-6,9H,1-4H3
InChIKeyNBPGBCBTTFDYCX-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.26
Rot. Bonds3

About 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine

1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 116914575) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID116914575
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCOC(c1sccc1C)N(C)C
InChIInChI=1S/C9H15NOS/c1-7-5-6-12-8(7)9(11-4)10(2)3/h5-6,9H,1-4H3
InChIKeyNBPGBCBTTFDYCX-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
CID 66070706
2-(1-methoxybut-2-ynyl)-3-methylthiophene
CID 101480682
2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine
CID 83828861
2-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 126973864
2-N,2-N,3-trimethyl-1-N-[1-(3-methylthiophen-2-yl)ethyl]butane-1,2-diamine
CID 63992430
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
CID 116911789
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
2-(diethoxymethyl)-3-methylthiophene
CID 146004797
1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79988703

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine (CID 116914575) is 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine is COC(c1sccc1C)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is NBPGBCBTTFDYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7-5-6-12-8(7)9(11-4)10(2)3/h5-6,9H,1-4H3.
What are the key properties of 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine?
1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 185.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 116914575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).