N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C18H27NOS — CID 79228111

IUPACN-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CC2Cc3ccccc3S2)CCOC1
InChIInChI=1S/C18H27NOS/c1-17(2,3)19-12-18(8-9-20-13-18)11-15-10-14-6-4-5-7-16(14)21-15/h4-7,15,19H,8-13H2,1-3H3
InChIKeyMMUBQUSVTOTRER-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.89
Rot. Bonds4

About N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79228111) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79228111
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC NameN-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CC2Cc3ccccc3S2)CCOC1
InChIInChI=1S/C18H27NOS/c1-17(2,3)19-12-18(8-9-20-13-18)11-15-10-14-6-4-5-7-16(14)21-15/h4-7,15,19H,8-13H2,1-3H3
InChIKeyMMUBQUSVTOTRER-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

4-(chloromethyl)-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxane
CID 79224281
[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine
CID 103718556
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79219918
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
CID 79223158
2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718039
2-methyl-N-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256483
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 62905055
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-2-methylpropanoic acid
CID 79228924

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 79228111) is N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(CC2Cc3ccccc3S2)CCOC1.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MMUBQUSVTOTRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-17(2,3)19-12-18(8-9-20-13-18)11-15-10-14-6-4-5-7-16(14)21-15/h4-7,15,19H,8-13H2,1-3H3.
What are the key properties of N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79228111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).