1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine

C12H17NOS — CID 79229949

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)CSCC1COc2ccccc21
InChIInChI=1S/C12H17NOS/c1-9(13)7-15-8-10-6-14-12-5-3-2-4-11(10)12/h2-5,9-10H,6-8,13H2,1H3
InChIKeyWKEIPLZSESCUCP-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.24
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine

1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine (PubChem CID 79229949) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine
PubChem CID79229949
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)CSCC1COc2ccccc21
InChIInChI=1S/C12H17NOS/c1-9(13)7-15-8-10-6-14-12-5-3-2-4-11(10)12/h2-5,9-10H,6-8,13H2,1H3
InChIKeyWKEIPLZSESCUCP-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)propan-2-amine
CID 66419915
1-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 79230396
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 112570233
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
methyl 3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)butanoate
CID 79226651
N-[2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)phenyl]-N-ethylformamide
CID 15881007
2-acetamido-4-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)butanoic acid
CID 79218939
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine (CID 79229949) is 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine is CC(N)CSCC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine?
The InChIKey is WKEIPLZSESCUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(13)7-15-8-10-6-14-12-5-3-2-4-11(10)12/h2-5,9-10H,6-8,13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine?
1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 2.24, 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-benzofuran-3-ylmethylsulfanyl)propan-2-amine is sourced from PubChem (CID 79229949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).