1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine

C22H27NO2 — CID 113241380

IUPAC1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc2cc(OCc3ccccc3)ccc2o1
InChIInChI=1S/C22H27NO2/c1-3-8-20(23-13-4-2)22-15-18-14-19(11-12-21(18)25-22)24-16-17-9-6-5-7-10-17/h5-7,9-12,14-15,20,23H,3-4,8,13,16H2,1-2H3
InChIKeyHGJZWIXPHDLLIB-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.85
Rot. Bonds9

About 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine

1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine (PubChem CID 113241380) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine
PubChem CID113241380
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc2cc(OCc3ccccc3)ccc2o1
InChIInChI=1S/C22H27NO2/c1-3-8-20(23-13-4-2)22-15-18-14-19(11-12-21(18)25-22)24-16-17-9-6-5-7-10-17/h5-7,9-12,14-15,20,23H,3-4,8,13,16H2,1-2H3
InChIKeyHGJZWIXPHDLLIB-UHFFFAOYSA-N
XLogP5.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65438802
2-oxo-6-phenylmethoxychromene-3-carbaldehyde
CID 135313712
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
6-phenylmethoxychromen-2-one
CID 59816113
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728050
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
2-methyl-N-[2-(methylamino)pentyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379677
1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438287
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-[1-methoxy-2-(3-methyl-5-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 67796874

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine (CID 113241380) is 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1cc2cc(OCc3ccccc3)ccc2o1.
What is the InChIKey of 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The InChIKey is HGJZWIXPHDLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-8-20(23-13-4-2)22-15-18-14-19(11-12-21(18)25-22)24-16-17-9-6-5-7-10-17/h5-7,9-12,14-15,20,23H,3-4,8,13,16H2,1-2H3.
What are the key properties of 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine?
1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine has a molecular weight of 337.46 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 113241380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).