1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine

C18H21NO2 — CID 105035897

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1ccc2c(c1)COC2
InChIInChI=1S/C18H21NO2/c1-2-9-21-17-6-4-3-5-16(17)18(19)13-7-8-14-11-20-12-15(14)10-13/h3-8,10,18H,2,9,11-12,19H2,1H3
InChIKeyUREGJEVNDMERJN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.55
Rot. Bonds5

About 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine

1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine (PubChem CID 105035897) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine
PubChem CID105035897
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1ccc2c(c1)COC2
InChIInChI=1S/C18H21NO2/c1-2-9-21-17-6-4-3-5-16(17)18(19)13-7-8-14-11-20-12-15(14)10-13/h3-8,10,18H,2,9,11-12,19H2,1H3
InChIKeyUREGJEVNDMERJN-UHFFFAOYSA-N
XLogP3.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
1,3-dihydro-2-benzofuran-5-yl(naphthalen-1-yl)methanamine
CID 63019163
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine (CID 105035897) is 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine?
The InChIKey is UREGJEVNDMERJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-9-21-17-6-4-3-5-16(17)18(19)13-7-8-14-11-20-12-15(14)10-13/h3-8,10,18H,2,9,11-12,19H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine has a molecular weight of 283.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).