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

C10H15NS — CID 20763668

IUPAC(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCc1cc2c(s1)CCCC2CN
InChIInChI=1S/C10H15NS/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h5,8H,2-4,6,11H2,1H3
InChIKeyWVVMPIRTKRQKAZ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.44
Rot. Bonds1

About (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine

(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (PubChem CID 20763668) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
PubChem CID20763668
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
SMILESCc1cc2c(s1)CCCC2CN
InChIInChI=1S/C10H15NS/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h5,8H,2-4,6,11H2,1H3
InChIKeyWVVMPIRTKRQKAZ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid
CID 83907980
7-[4-(aminomethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methylpyrido[4,3-d]pyrimidine-2,4-dione
CID 59074322
[2-[[2-methyl-4-(methylaminomethyl)-4,6,7,8-tetrahydrothieno[3,2-c]oxepin-6-yl]methyl]-4,6,7,8-tetrahydrothieno[3,2-c]oxepin-4-yl]methanamine
CID 155207288
2-(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)ethanamine
CID 83907867
4,5,6,7-tetrahydro-1,3-benzothiazol-4-ylmethanamine;hydrochloride
CID 3059950
1,2,3,4-tetrahydroanthracen-1-ylmethanamine
CID 151662391
[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 66651510
2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
CID 83905599
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
5-(aminomethyl)-N,N-diethyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105422256
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine (CID 20763668) is (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is Cc1cc2c(s1)CCCC2CN.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
The InChIKey is WVVMPIRTKRQKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h5,8H,2-4,6,11H2,1H3.
What are the key properties of (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine?
(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine is sourced from PubChem (CID 20763668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).