N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C17H23NOS — CID 79032921

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCOCc1cccc(CNCC(C)(C)c2cccs2)c1
InChIInChI=1S/C17H23NOS/c1-17(2,16-8-5-9-20-16)13-18-11-14-6-4-7-15(10-14)12-19-3/h4-10,18H,11-13H2,1-3H3
InChIKeyWJHUJPICXVEWEN-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.96
Rot. Bonds7

About N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 79032921) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID79032921
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCOCc1cccc(CNCC(C)(C)c2cccs2)c1
InChIInChI=1S/C17H23NOS/c1-17(2,16-8-5-9-20-16)13-18-11-14-6-4-7-15(10-14)12-19-3/h4-10,18H,11-13H2,1-3H3
InChIKeyWJHUJPICXVEWEN-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963168
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
1-[3-(methoxymethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001689
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103699421
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963193
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114936828
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 79032921) is N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is COCc1cccc(CNCC(C)(C)c2cccs2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is WJHUJPICXVEWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-17(2,16-8-5-9-20-16)13-18-11-14-6-4-7-15(10-14)12-19-3/h4-10,18H,11-13H2,1-3H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79032921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).