N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine

C12H21NOS — CID 80729702

IUPACN-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1cc(CNCC(C)C)sc1C
InChIInChI=1S/C12H21NOS/c1-9(2)6-13-7-12-5-11(8-14-4)10(3)15-12/h5,9,13H,6-8H2,1-4H3
InChIKeyREWLTCGXHFNMBZ-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.95
Rot. Bonds6

About N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 80729702) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID80729702
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1cc(CNCC(C)C)sc1C
InChIInChI=1S/C12H21NOS/c1-9(2)6-13-7-12-5-11(8-14-4)10(3)15-12/h5,9,13H,6-8H2,1-4H3
InChIKeyREWLTCGXHFNMBZ-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-methoxypropoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729863
2-methyl-N-[[5-methyl-4-(oxetan-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 102608234
N-[[4-[(3-methoxy-3-methylbutoxy)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 106668090
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80727717
N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 82942281
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80720268
N-[[4-(azocan-1-ylmethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80719506
N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80728940
N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80727214
N-[[5-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80734065
N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728560

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 80729702) is N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine is COCc1cc(CNCC(C)C)sc1C.
What is the InChIKey of N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is REWLTCGXHFNMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(2)6-13-7-12-5-11(8-14-4)10(3)15-12/h5,9,13H,6-8H2,1-4H3.
What are the key properties of N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80729702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).