(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine

C18H19NO2 — CID 114375977

IUPAC(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H19NO2/c1-2-6-15-16-11-14(20-13-7-4-3-5-8-13)9-10-17(16)21-18(15)12-19/h3-5,7-11H,2,6,12,19H2,1H3
InChIKeyWAYWOMOUBXFBJQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.64
Rot. Bonds5

About (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine

(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine (PubChem CID 114375977) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
PubChem CID114375977
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
SMILESCCCc1c(CN)oc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C18H19NO2/c1-2-6-15-16-11-14(20-13-7-4-3-5-8-13)9-10-17(16)21-18(15)12-19/h3-5,7-11H,2,6,12,19H2,1H3
InChIKeyWAYWOMOUBXFBJQ-UHFFFAOYSA-N
XLogP4.64
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 62381054
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
CID 114377191
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81041074
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
2-phenoxybenzo[c]chromen-6-one
CID 164686095
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
CID 63488537

Frequently Asked Questions

What is the IUPAC name of (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine (CID 114375977) is (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine is CCCc1c(CN)oc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine?
The InChIKey is WAYWOMOUBXFBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-6-15-16-11-14(20-13-7-4-3-5-8-13)9-10-17(16)21-18(15)12-19/h3-5,7-11H,2,6,12,19H2,1H3.
What are the key properties of (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine?
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114375977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).