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

C18H27NO — CID 114376685

IUPACN-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)oc2c(C(C)C)cccc12
InChIInChI=1S/C18H27NO/c1-6-8-15-16-10-7-9-14(12(2)3)18(16)20-17(15)11-19-13(4)5/h7,9-10,12-13,19H,6,8,11H2,1-5H3
InChIKeyDBUWDCHXIOOUKW-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.01
Rot. Bonds6

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

N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 114376685) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID114376685
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)oc2c(C(C)C)cccc12
InChIInChI=1S/C18H27NO/c1-6-8-15-16-10-7-9-14(12(2)3)18(16)20-17(15)11-19-13(4)5/h7,9-10,12-13,19H,6,8,11H2,1-5H3
InChIKeyDBUWDCHXIOOUKW-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376870
2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
CID 82379660
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149
N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107669906
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 113459820
N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377030
N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376599

Frequently Asked Questions

What is the IUPAC name of N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 114376685) is N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)oc2c(C(C)C)cccc12.
What is the InChIKey of N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is DBUWDCHXIOOUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-6-8-15-16-10-7-9-14(12(2)3)18(16)20-17(15)11-19-13(4)5/h7,9-10,12-13,19H,6,8,11H2,1-5H3.
What are the key properties of N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114376685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).