N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine

C14H21NOS — CID 79223006

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCC1Cc2ccccc2S1
InChIInChI=1S/C14H21NOS/c1-11(10-16-2)8-15-9-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyXHRYUGUALOINIZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.58
Rot. Bonds6

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine (PubChem CID 79223006) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
PubChem CID79223006
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCC1Cc2ccccc2S1
InChIInChI=1S/C14H21NOS/c1-11(10-16-2)8-15-9-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyXHRYUGUALOINIZ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-methoxypropan-2-amine
CID 79213714
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79223012
1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
CID 107152561
5-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-1-amine
CID 114150798
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-(2-methylpropoxy)methanamine
CID 82715413
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 79224568
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045670
4-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 79224662
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide
CID 79214054
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 106261413
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine (CID 79223006) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine is COCC(C)CNCC1Cc2ccccc2S1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine?
The InChIKey is XHRYUGUALOINIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(10-16-2)8-15-9-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 79223006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).