N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine

C17H19NOS — CID 81301919

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOCc1ccccc1CNC1CSc2ccccc21
InChIInChI=1S/C17H19NOS/c1-19-11-14-7-3-2-6-13(14)10-18-16-12-20-17-9-5-4-8-15(16)17/h2-9,16,18H,10-12H2,1H3
InChIKeyDIZNQSHQULDOLW-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.77
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81301919) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81301919
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOCc1ccccc1CNC1CSc2ccccc21
InChIInChI=1S/C17H19NOS/c1-19-11-14-7-3-2-6-13(14)10-18-16-12-20-17-9-5-4-8-15(16)17/h2-9,16,18H,10-12H2,1H3
InChIKeyDIZNQSHQULDOLW-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 78993268
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81300282
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81297831
N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81327649
2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252394
N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
CID 60743823
N-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115732522
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345629
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297042
N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81344909

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 81301919) is N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine is COCc1ccccc1CNC1CSc2ccccc21.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is DIZNQSHQULDOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-19-11-14-7-3-2-6-13(14)10-18-16-12-20-17-9-5-4-8-15(16)17/h2-9,16,18H,10-12H2,1H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 285.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81301919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).