N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine

C18H19NO2 — CID 65438802

IUPACN-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cc(OCc3ccccc3)ccc2o1
InChIInChI=1S/C18H19NO2/c1-2-19-12-17-11-15-10-16(8-9-18(15)21-17)20-13-14-6-4-3-5-7-14/h3-11,19H,2,12-13H2,1H3
InChIKeyDWMPSPZKCDBQRQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP4.12
Rot. Bonds6

About N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine

N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 65438802) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID65438802
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC NameN-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cc(OCc3ccccc3)ccc2o1
InChIInChI=1S/C18H19NO2/c1-2-19-12-17-11-15-10-16(8-9-18(15)21-17)20-13-14-6-4-3-5-7-14/h3-11,19H,2,12-13H2,1H3
InChIKeyDWMPSPZKCDBQRQ-UHFFFAOYSA-N
XLogP4.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
2-oxo-6-phenylmethoxychromene-3-carbaldehyde
CID 135313712
1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 113241380
6-phenylmethoxychromen-2-one
CID 59816113
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62442576
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658
5-ethoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126194492
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357531
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 65438802) is N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1cc2cc(OCc3ccccc3)ccc2o1.
What is the InChIKey of N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is DWMPSPZKCDBQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-19-12-17-11-15-10-16(8-9-18(15)21-17)20-13-14-6-4-3-5-7-14/h3-11,19H,2,12-13H2,1H3.
What are the key properties of N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 281.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 65438802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).