1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

C15H18N2S — CID 103998382

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCc1ccc2c(c1)CNC2
InChIInChI=1S/C15H18N2S/c1-11-4-5-18-15(11)10-16-7-12-2-3-13-8-17-9-14(13)6-12/h2-6,16-17H,7-10H2,1H3
InChIKeyURFBIQVJDMKXLI-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.95
Rot. Bonds4

About 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 103998382) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID103998382
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCc1ccc2c(c1)CNC2
InChIInChI=1S/C15H18N2S/c1-11-4-5-18-15(11)10-16-7-12-2-3-13-8-17-9-14(13)6-12/h2-6,16-17H,7-10H2,1H3
InChIKeyURFBIQVJDMKXLI-UHFFFAOYSA-N
XLogP2.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 103998299
1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113225343
[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
CID 103648607
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113221923
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115627578
N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine
CID 78943500
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 103998333
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 105357866
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide
CID 103403908

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 103998382) is 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1ccsc1CNCc1ccc2c(c1)CNC2.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is URFBIQVJDMKXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-4-5-18-15(11)10-16-7-12-2-3-13-8-17-9-14(13)6-12/h2-6,16-17H,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 258.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 103998382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).