N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine

C16H23NO — CID 81049925

IUPACN-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)oc2c(C(C)C)cccc12
InChIInChI=1S/C16H23NO/c1-10(2)13-7-6-8-14-12(5)15(18-16(13)14)9-17-11(3)4/h6-8,10-11,17H,9H2,1-5H3
InChIKeySKCHSVXYYNBAJV-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.36
Rot. Bonds4

About N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 81049925) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID81049925
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)oc2c(C(C)C)cccc12
InChIInChI=1S/C16H23NO/c1-10(2)13-7-6-8-14-12(5)15(18-16(13)14)9-17-11(3)4/h6-8,10-11,17H,9H2,1-5H3
InChIKeySKCHSVXYYNBAJV-UHFFFAOYSA-N
XLogP4.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 81049925) is N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine is Cc1c(CNC(C)C)oc2c(C(C)C)cccc12.
What is the InChIKey of N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is SKCHSVXYYNBAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10(2)13-7-6-8-14-12(5)15(18-16(13)14)9-17-11(3)4/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 81049925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).