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

C13H17NO — CID 43149664

IUPAC2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCc1c(C(N)C(C)C)oc2ccccc12
InChIInChI=1S/C13H17NO/c1-8(2)12(14)13-9(3)10-6-4-5-7-11(10)15-13/h4-8,12H,14H2,1-3H3
InChIKeyHVLPOBQRKWXUAB-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.40
Rot. Bonds2

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

2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 43149664) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID43149664
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCc1c(C(N)C(C)C)oc2ccccc12
InChIInChI=1S/C13H17NO/c1-8(2)12(14)13-9(3)10-6-4-5-7-11(10)15-13/h4-8,12H,14H2,1-3H3
InChIKeyHVLPOBQRKWXUAB-UHFFFAOYSA-N
XLogP3.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine (CID 43149664) is 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine is Cc1c(C(N)C(C)C)oc2ccccc12.
What is the InChIKey of 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is HVLPOBQRKWXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8(2)12(14)13-9(3)10-6-4-5-7-11(10)15-13/h4-8,12H,14H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine?
2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 43149664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).