N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine

C19H29NO — CID 107669906

IUPACN-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)oc2ccc(C(C)CC)cc12
InChIInChI=1S/C19H29NO/c1-6-8-16-17-11-15(14(5)7-2)9-10-18(17)21-19(16)12-20-13(3)4/h9-11,13-14,20H,6-8,12H2,1-5H3
InChIKeyLXCKZIIBJAWOQW-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.40
Rot. Bonds7

About N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 107669906) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID107669906
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)oc2ccc(C(C)CC)cc12
InChIInChI=1S/C19H29NO/c1-6-8-16-17-11-15(14(5)7-2)9-10-18(17)21-19(16)12-20-13(3)4/h9-11,13-14,20H,6-8,12H2,1-5H3
InChIKeyLXCKZIIBJAWOQW-UHFFFAOYSA-N
XLogP5.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 107669906) is N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)oc2ccc(C(C)CC)cc12.
What is the InChIKey of N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is LXCKZIIBJAWOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-6-8-16-17-11-15(14(5)7-2)9-10-18(17)21-19(16)12-20-13(3)4/h9-11,13-14,20H,6-8,12H2,1-5H3.
What are the key properties of N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 107669906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).