1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine

C16H19NS2 — CID 79222491

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCC2Cc3ccccc3S2)sc1C
InChIInChI=1S/C16H19NS2/c1-11-7-14(18-12(11)2)9-17-10-15-8-13-5-3-4-6-16(13)19-15/h3-7,15,17H,8-10H2,1-2H3
InChIKeyRMMOVXDXOUEFEE-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.17
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine (PubChem CID 79222491) has the molecular formula C16H19NS2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
PubChem CID79222491
Molecular FormulaC16H19NS2
Molecular Weight289.47 g/mol
Exact Mass289.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCC2Cc3ccccc3S2)sc1C
InChIInChI=1S/C16H19NS2/c1-11-7-14(18-12(11)2)9-17-10-15-8-13-5-3-4-6-16(13)19-15/h3-7,15,17H,8-10H2,1-2H3
InChIKeyRMMOVXDXOUEFEE-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106372033
1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 80567468
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106372736
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106417654
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4-dimethylaniline
CID 79212123
2,6-dibromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylaniline
CID 79213445
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107412803
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbut-2-en-1-amine
CID 106188620
1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
CID 107152561
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 79222628
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine (CID 79222491) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine is Cc1cc(CNCC2Cc3ccccc3S2)sc1C.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The InChIKey is RMMOVXDXOUEFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS2/c1-11-7-14(18-12(11)2)9-17-10-15-8-13-5-3-4-6-16(13)19-15/h3-7,15,17H,8-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine has a molecular weight of 289.47 g/mol, XLogP of 4.17, 4 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-[(4,5-dimethylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 79222491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).