N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine

C15H19NO2 — CID 114374961

IUPACN-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2cc(OC)ccc2c1C1CC1
InChIInChI=1S/C15H19NO2/c1-3-16-9-14-15(10-4-5-10)12-7-6-11(17-2)8-13(12)18-14/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyCXZSGFKLTJGMDR-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.43
Rot. Bonds5

About N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine

N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 114374961) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID114374961
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2cc(OC)ccc2c1C1CC1
InChIInChI=1S/C15H19NO2/c1-3-16-9-14-15(10-4-5-10)12-7-6-11(17-2)8-13(12)18-14/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyCXZSGFKLTJGMDR-UHFFFAOYSA-N
XLogP3.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114374981
N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377188
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81048184
1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
CID 82372714
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
N-[[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120966398
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 65322923
(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine
CID 114376299
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 114374961) is N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2cc(OC)ccc2c1C1CC1.
What is the InChIKey of N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is CXZSGFKLTJGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-16-9-14-15(10-4-5-10)12-7-6-11(17-2)8-13(12)18-14/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114374961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).