N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine

C18H27NO — CID 114377113

IUPACN-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2c(C)ccc(C(C)C)c2c1C(C)C
InChIInChI=1S/C18H27NO/c1-7-19-10-15-16(12(4)5)17-14(11(2)3)9-8-13(6)18(17)20-15/h8-9,11-12,19H,7,10H2,1-6H3
InChIKeyVLCXGTICYASDDL-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.10
Rot. Bonds5

About N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine

N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 114377113) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID114377113
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2c(C)ccc(C(C)C)c2c1C(C)C
InChIInChI=1S/C18H27NO/c1-7-19-10-15-16(12(4)5)17-14(11(2)3)9-8-13(6)18(17)20-15/h8-9,11-12,19H,7,10H2,1-6H3
InChIKeyVLCXGTICYASDDL-UHFFFAOYSA-N
XLogP5.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine 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-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377137
N-[(3-tert-butyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377127
N-[(7-chloro-4-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376933
N-[(4-fluoro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 102990738
N-[(4-methyl-7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376870
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
N-[(3-ethyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843114
N-[(5-chloro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114375532
4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran
CID 100935379
N-[(3-tert-butyl-7-chloro-4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376949
N-[(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440938
(3,4-dimethyl-7-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 81049235

Frequently Asked Questions

What is the IUPAC name of N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine (CID 114377113) is N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2c(C)ccc(C(C)C)c2c1C(C)C.
What is the InChIKey of N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is VLCXGTICYASDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-7-19-10-15-16(12(4)5)17-14(11(2)3)9-8-13(6)18(17)20-15/h8-9,11-12,19H,7,10H2,1-6H3.
What are the key properties of N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine?
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 114377113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).