N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine

C15H22N2OS — CID 79220707

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(CNCC2CSc3ccccc32)C1
InChIInChI=1S/C15H22N2OS/c1-17-6-7-18-13(10-17)9-16-8-12-11-19-15-5-3-2-4-14(12)15/h2-5,12-13,16H,6-11H2,1H3
InChIKeyYCXVVDFYYGWKJR-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.80
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 79220707) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID79220707
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(CNCC2CSc3ccccc32)C1
InChIInChI=1S/C15H22N2OS/c1-17-6-7-18-13(10-17)9-16-8-12-11-19-15-5-3-2-4-14(12)15/h2-5,12-13,16H,6-11H2,1H3
InChIKeyYCXVVDFYYGWKJR-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine
CID 79221459
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515366
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 79071101
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine
CID 66394658
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
CID 95303552
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine (CID 79220707) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine is CN1CCOC(CNCC2CSc3ccccc32)C1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is YCXVVDFYYGWKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-17-6-7-18-13(10-17)9-16-8-12-11-19-15-5-3-2-4-14(12)15/h2-5,12-13,16H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 278.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79220707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).