(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine

C10H15NS — CID 53275703

IUPAC(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
SMILESCC1CCc2c(CN)csc2C1
InChIInChI=1S/C10H15NS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h6-7H,2-5,11H2,1H3
InChIKeyMAMOZWJWEDPVHV-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.33
Rot. Bonds1

About (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine

(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine (PubChem CID 53275703) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
PubChem CID53275703
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
SMILESCC1CCc2c(CN)csc2C1
InChIInChI=1S/C10H15NS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h6-7H,2-5,11H2,1H3
InChIKeyMAMOZWJWEDPVHV-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine with MolForge

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Related Compounds

[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanol
CID 42586921
3-(chloromethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 82025068
(6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
CID 114748520
4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethanamine
CID 5307012
3-(aminomethyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine;ethane
CID 177018454
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanamine
CID 82504009
N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
N-[1-(aminomethyl)cyclopentyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 119567655
(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanamine
CID 82505660
ethyl 4-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazine-1-carboxylate
CID 78795941
N-methoxy-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55027960

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine (CID 53275703) is (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine is CC1CCc2c(CN)csc2C1.
What is the InChIKey of (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine?
The InChIKey is MAMOZWJWEDPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7-2-3-9-8(5-11)6-12-10(9)4-7/h6-7H,2-5,11H2,1H3.
What are the key properties of (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine?
(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 53275703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).