(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine

C18H19NO2 — CID 114519731

IUPAC(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)C1COc2ccccc21
InChIInChI=1S/C18H19NO2/c19-18(16-11-20-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)21-14-9-10-14/h1-8,14,16,18H,9-11,19H2
InChIKeyXWPDPRLSCRIJEB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.40
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine

(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine (PubChem CID 114519731) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine
PubChem CID114519731
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)C1COc2ccccc21
InChIInChI=1S/C18H19NO2/c19-18(16-11-20-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)21-14-9-10-14/h1-8,14,16,18H,9-11,19H2
InChIKeyXWPDPRLSCRIJEB-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
(4-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105188419
[cyclobutyl(2,3-dihydro-1-benzofuran-3-yl)methyl]hydrazine
CID 105262779
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
[2,3-dihydro-1-benzofuran-3-yl-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105262807
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659976
(4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine
CID 114519626
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine
CID 114519844
1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
CID 114519481
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105131461

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine (CID 114519731) is (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine is NC(c1ccc(OC2CC2)cc1)C1COc2ccccc21.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine?
The InChIKey is XWPDPRLSCRIJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c19-18(16-11-20-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)21-14-9-10-14/h1-8,14,16,18H,9-11,19H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine?
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 114519731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).