1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C13H17NOS — CID 82719584

IUPAC1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1csc2ccccc12
InChIInChI=1S/C13H17NOS/c1-13(2,3)15-14-8-10-9-16-12-7-5-4-6-11(10)12/h4-7,9,14H,8H2,1-3H3
InChIKeyAYXHHRNQAFZJIX-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.72
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82719584) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82719584
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1csc2ccccc12
InChIInChI=1S/C13H17NOS/c1-13(2,3)15-14-8-10-9-16-12-7-5-4-6-11(10)12/h4-7,9,14H,8H2,1-3H3
InChIKeyAYXHHRNQAFZJIX-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzothiophen-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 63445924
3-N-(1-benzothiophen-3-ylmethyl)-3-methylbutane-1,3-diamine
CID 115134773
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
CID 115575834
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 60704248
N-(1-benzothiophen-3-ylmethyl)-4-methoxy-2-methylaniline
CID 62871686
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
N-(1-benzothiophen-3-ylmethyl)-3,4-dimethoxyaniline
CID 60962379
N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline
CID 65468569
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82719584) is 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is CC(C)(C)ONCc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is AYXHHRNQAFZJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-13(2,3)15-14-8-10-9-16-12-7-5-4-6-11(10)12/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82719584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).