N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C16H19NOS — CID 62841936

IUPACN-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCOCc1cccc(NC2CCCc3sccc32)c1
InChIInChI=1S/C16H19NOS/c1-18-11-12-4-2-5-13(10-12)17-15-6-3-7-16-14(15)8-9-19-16/h2,4-5,8-10,15,17H,3,6-7,11H2,1H3
InChIKeyVXYDDEJFTIVLJX-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.38
Rot. Bonds4

About N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 62841936) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID62841936
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCOCc1cccc(NC2CCCc3sccc32)c1
InChIInChI=1S/C16H19NOS/c1-18-11-12-4-2-5-13(10-12)17-15-6-3-7-16-14(15)8-9-19-16/h2,4-5,8-10,15,17H,3,6-7,11H2,1H3
InChIKeyVXYDDEJFTIVLJX-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine 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

2-iodo-N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686767
methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate
CID 62841091
N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide
CID 62841074
N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 43672235
N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63419222
N-(3-pyrrol-1-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63445840
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
2-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,4-diamine
CID 62840971
N-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841961
2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol
CID 62842148
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122390

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 62841936) is N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is COCc1cccc(NC2CCCc3sccc32)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is VXYDDEJFTIVLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-18-11-12-4-2-5-13(10-12)17-15-6-3-7-16-14(15)8-9-19-16/h2,4-5,8-10,15,17H,3,6-7,11H2,1H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 273.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 62841936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).