1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine

C18H27NO — CID 115493598

IUPAC1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCCc1ccc2oc(C(CC)NCCC)cc2c1
InChIInChI=1S/C18H27NO/c1-4-7-8-14-9-10-17-15(12-14)13-18(20-17)16(6-3)19-11-5-2/h9-10,12-13,16,19H,4-8,11H2,1-3H3
InChIKeyJTWHJGBQFAKONV-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.23
Rot. Bonds8

About 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine

1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine (PubChem CID 115493598) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
PubChem CID115493598
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCCc1ccc2oc(C(CC)NCCC)cc2c1
InChIInChI=1S/C18H27NO/c1-4-7-8-14-9-10-17-15(12-14)13-18(20-17)16(6-3)19-11-5-2/h9-10,12-13,16,19H,4-8,11H2,1-3H3
InChIKeyJTWHJGBQFAKONV-UHFFFAOYSA-N
XLogP5.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
N-[(5-butyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 115493603
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
1-(5-ethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65441154
1-(5-propyl-1-benzofuran-2-yl)ethanamine
CID 65439611
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728050
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 113241380
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 107669317

Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine (CID 115493598) is 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine is CCCCc1ccc2oc(C(CC)NCCC)cc2c1.
What is the InChIKey of 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The InChIKey is JTWHJGBQFAKONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-7-8-14-9-10-17-15(12-14)13-18(20-17)16(6-3)19-11-5-2/h9-10,12-13,16,19H,4-8,11H2,1-3H3.
What are the key properties of 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 115493598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).