2-(4-methyl-1-benzofuran-3-yl)propan-2-amine

C12H15NO — CID 117119119

IUPAC2-(4-methyl-1-benzofuran-3-yl)propan-2-amine
SMILESCc1cccc2occ(C(C)(C)N)c12
InChIInChI=1S/C12H15NO/c1-8-5-4-6-10-11(8)9(7-14-10)12(2,3)13/h4-7H,13H2,1-3H3
InChIKeySFXKCNDWXADBHL-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.94
Rot. Bonds1

About 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine

2-(4-methyl-1-benzofuran-3-yl)propan-2-amine (PubChem CID 117119119) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1-benzofuran-3-yl)propan-2-amine
PubChem CID117119119
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(4-methyl-1-benzofuran-3-yl)propan-2-amine
SMILESCc1cccc2occ(C(C)(C)N)c12
InChIInChI=1S/C12H15NO/c1-8-5-4-6-10-11(8)9(7-14-10)12(2,3)13/h4-7H,13H2,1-3H3
InChIKeySFXKCNDWXADBHL-UHFFFAOYSA-N
XLogP2.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol
CID 117292656
2-furo[3,2-b]pyridin-3-ylpropan-2-amine
CID 84767165
2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
CID 70406014
3-methyl-1-benzofuran-4-sulfonyl chloride
CID 83823871
ethyl 4-methyl-1-benzofuran-3-carboxylate
CID 175669045
1,6-dimethylbenzo[e][1]benzofuran
CID 172538519
2-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119169
2-[7-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine
CID 117122975
2-[2-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 21264783
ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
acetic acid;2-(2,3-dimethylphenyl)propan-2-amine
CID 173060672

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine?
The IUPAC name of 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine (CID 117119119) is 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine.
What is the SMILES notation for 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine?
The canonical SMILES for 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine is Cc1cccc2occ(C(C)(C)N)c12.
What is the InChIKey of 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine?
The InChIKey is SFXKCNDWXADBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-5-4-6-10-11(8)9(7-14-10)12(2,3)13/h4-7H,13H2,1-3H3.
What are the key properties of 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine?
2-(4-methyl-1-benzofuran-3-yl)propan-2-amine has a molecular weight of 189.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-benzofuran-3-yl)propan-2-amine is sourced from PubChem (CID 117119119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).