1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine

C17H21NO2S — CID 54849898

IUPAC1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNCc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C17H21NO2S/c1-2-8-17(20-13-15-6-3-9-19-15)14(5-1)11-18-12-16-7-4-10-21-16/h1-2,4-5,7-8,10,15,18H,3,6,9,11-13H2
InChIKeyAIMBSJDAXZHYGL-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.60
Rot. Bonds7

About 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine

1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 54849898) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID54849898
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNCc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C17H21NO2S/c1-2-8-17(20-13-15-6-3-9-19-15)14(5-1)11-18-12-16-7-4-10-21-16/h1-2,4-5,7-8,10,15,18H,3,6,9,11-13H2
InChIKeyAIMBSJDAXZHYGL-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54850096
2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 54805225
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine (CID 54849898) is 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine is c1csc(CNCc2ccccc2OCC2CCCO2)c1.
What is the InChIKey of 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is AIMBSJDAXZHYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-8-17(20-13-15-6-3-9-19-15)14(5-1)11-18-12-16-7-4-10-21-16/h1-2,4-5,7-8,10,15,18H,3,6,9,11-13H2.
What are the key properties of 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine?
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 303.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 54849898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).