1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine

C16H17NOS — CID 79222489

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine
SMILESc1ccc(CONCC2Cc3ccccc3S2)cc1
InChIInChI=1S/C16H17NOS/c1-2-6-13(7-3-1)12-18-17-11-15-10-14-8-4-5-9-16(14)19-15/h1-9,15,17H,10-12H2
InChIKeyLHWUAECGFUETBH-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine (PubChem CID 79222489) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine
PubChem CID79222489
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine
SMILESc1ccc(CONCC2Cc3ccccc3S2)cc1
InChIInChI=1S/C16H17NOS/c1-2-6-13(7-3-1)12-18-17-11-15-10-14-8-4-5-9-16(14)19-15/h1-9,15,17H,10-12H2
InChIKeyLHWUAECGFUETBH-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropoxymethyl)-2,3-dihydro-1-benzothiophene
CID 79403171
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-iodoaniline
CID 79213442
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-prop-2-enoxyethanamine
CID 114264703
N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 64974310
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-methoxypropan-2-amine
CID 79213714
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403687
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79223006
N-phenylmethoxy-1-piperidin-4-ylmethanamine
CID 82709378
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine (CID 79222489) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine is c1ccc(CONCC2Cc3ccccc3S2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine?
The InChIKey is LHWUAECGFUETBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-6-13(7-3-1)12-18-17-11-15-10-14-8-4-5-9-16(14)19-15/h1-9,15,17H,10-12H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine has a molecular weight of 271.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 79222489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).