1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine

C18H27NO — CID 65440223

IUPAC1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2c(C(C)C)ccc(C)c2o1
InChIInChI=1S/C18H27NO/c1-6-10-19-16(7-2)17-11-15-14(12(3)4)9-8-13(5)18(15)20-17/h8-9,11-12,16,19H,6-7,10H2,1-5H3
InChIKeyKATSCHSCOTXCDY-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.32
Rot. Bonds6

About 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine

1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine (PubChem CID 65440223) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine
PubChem CID65440223
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2c(C(C)C)ccc(C)c2o1
InChIInChI=1S/C18H27NO/c1-6-10-19-16(7-2)17-11-15-14(12(3)4)9-8-13(5)18(15)20-17/h8-9,11-12,16,19H,6-7,10H2,1-5H3
InChIKeyKATSCHSCOTXCDY-UHFFFAOYSA-N
XLogP5.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440938
1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
CID 43496442
N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440443
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone
CID 65428215
1-[5-(4-propan-2-ylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 63398585
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine
CID 114874570
1-(6,7-dimethyl-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65440199
N-[1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfonylethyl]propan-1-amine
CID 105045409
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine (CID 65440223) is 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine is CCCNC(CC)c1cc2c(C(C)C)ccc(C)c2o1.
What is the InChIKey of 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The InChIKey is KATSCHSCOTXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-10-19-16(7-2)17-11-15-14(12(3)4)9-8-13(5)18(15)20-17/h8-9,11-12,16,19H,6-7,10H2,1-5H3.
What are the key properties of 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65440223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).