N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine

C17H23NO — CID 114375721

IUPACN-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(C)c(C)cc(C)c2c1C1CC1
InChIInChI=1S/C17H23NO/c1-5-18-9-14-16(13-6-7-13)15-11(3)8-10(2)12(4)17(15)19-14/h8,13,18H,5-7,9H2,1-4H3
InChIKeyRPXQZPALHOTNRE-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.34
Rot. Bonds4

About N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 114375721) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID114375721
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(C)c(C)cc(C)c2c1C1CC1
InChIInChI=1S/C17H23NO/c1-5-18-9-14-16(13-6-7-13)15-11(3)8-10(2)12(4)17(15)19-14/h8,13,18H,5-7,9H2,1-4H3
InChIKeyRPXQZPALHOTNRE-UHFFFAOYSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-cyclopropyl-4,6,7-trimethyl-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-[(5-bromo-3-cyclopropyl-4,6-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 107727469
N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377311
N-[(4-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 107287762
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
N-[(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049450
N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377233
N-[[3-(methoxymethyl)-4,6,7-trimethyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114375733
N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376967
N-[(5-bromo-4,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662984
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62411847
N-[(4,6-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377035
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]propan-1-amine
CID 62430415

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine (CID 114375721) is N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2c(C)c(C)cc(C)c2c1C1CC1.
What is the InChIKey of N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is RPXQZPALHOTNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-18-9-14-16(13-6-7-13)15-11(3)8-10(2)12(4)17(15)19-14/h8,13,18H,5-7,9H2,1-4H3.
What are the key properties of N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-4,6,7-trimethyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114375721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).