2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine

C14H21NO3S — CID 81189838

IUPAC2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine
SMILESCc1ccc2c(c1)CC(CS(=O)(=O)CC(C)(C)N)O2
InChIInChI=1S/C14H21NO3S/c1-10-4-5-13-11(6-10)7-12(18-13)8-19(16,17)9-14(2,3)15/h4-6,12H,7-9,15H2,1-3H3
InChIKeyWWBCHTXLMXPRPA-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine

2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine (PubChem CID 81189838) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine
PubChem CID81189838
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine
SMILESCc1ccc2c(c1)CC(CS(=O)(=O)CC(C)(C)N)O2
InChIInChI=1S/C14H21NO3S/c1-10-4-5-13-11(6-10)7-12(18-13)8-19(16,17)9-14(2,3)15/h4-6,12H,7-9,15H2,1-3H3
InChIKeyWWBCHTXLMXPRPA-UHFFFAOYSA-N
XLogP1.45
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 66361139
4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
CID 66394102
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66360837
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393909
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66360046
2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83150962
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine (CID 81189838) is 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine is Cc1ccc2c(c1)CC(CS(=O)(=O)CC(C)(C)N)O2.
What is the InChIKey of 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine?
The InChIKey is WWBCHTXLMXPRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-4-5-13-11(6-10)7-12(18-13)8-19(16,17)9-14(2,3)15/h4-6,12H,7-9,15H2,1-3H3.
What are the key properties of 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine?
2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine is sourced from PubChem (CID 81189838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).