N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine

C17H23NO2S — CID 63058853

IUPACN-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(CNCC(C)C)c(OCc2cccs2)c1
InChIInChI=1S/C17H23NO2S/c1-13(2)10-18-11-14-6-7-15(19-3)9-17(14)20-12-16-5-4-8-21-16/h4-9,13,18H,10-12H2,1-3H3
InChIKeyJNQSTUCWIOXJDE-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.08
Rot. Bonds8

About N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63058853) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63058853
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(CNCC(C)C)c(OCc2cccs2)c1
InChIInChI=1S/C17H23NO2S/c1-13(2)10-18-11-14-6-7-15(19-3)9-17(14)20-12-16-5-4-8-21-16/h4-9,13,18H,10-12H2,1-3H3
InChIKeyJNQSTUCWIOXJDE-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
2-methyl-N-[[4-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250459
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928566
N-[[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391402
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54931143
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
[4-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methanol
CID 63775137
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119129654
1-[(2,4-dimethoxyphenyl)methyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 87039146

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63058853) is N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is COc1ccc(CNCC(C)C)c(OCc2cccs2)c1.
What is the InChIKey of N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JNQSTUCWIOXJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-13(2)10-18-11-14-6-7-15(19-3)9-17(14)20-12-16-5-4-8-21-16/h4-9,13,18H,10-12H2,1-3H3.
What are the key properties of N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63058853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).