N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

C15H21NO — CID 81037510

IUPACN-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1c(CNCC(C)C)oc2c(C)cccc12
InChIInChI=1S/C15H21NO/c1-10(2)8-16-9-14-12(4)13-7-5-6-11(3)15(13)17-14/h5-7,10,16H,8-9H2,1-4H3
InChIKeyOHGQUXBKSYLWAS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.80
Rot. Bonds4

About N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 81037510) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID81037510
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCc1c(CNCC(C)C)oc2c(C)cccc12
InChIInChI=1S/C15H21NO/c1-10(2)8-16-9-14-12(4)13-7-5-6-11(3)15(13)17-14/h5-7,10,16H,8-9H2,1-4H3
InChIKeyOHGQUXBKSYLWAS-UHFFFAOYSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 81037510) is N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is Cc1c(CNCC(C)C)oc2c(C)cccc12.
What is the InChIKey of N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is OHGQUXBKSYLWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)8-16-9-14-12(4)13-7-5-6-11(3)15(13)17-14/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81037510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).