N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine

C19H23NO — CID 63020950

IUPACN-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C19H23NO/c1-3-10-20-14(2)18-6-4-5-7-19(18)15-8-9-16-12-21-13-17(16)11-15/h4-9,11,14,20H,3,10,12-13H2,1-2H3
InChIKeyMJSPALZVICHBOK-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.44
Rot. Bonds5

About N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine (PubChem CID 63020950) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine
PubChem CID63020950
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1ccc2c(c1)COC2
InChIInChI=1S/C19H23NO/c1-3-10-20-14(2)18-6-4-5-7-19(18)15-8-9-16-12-21-13-17(16)11-15/h4-9,11,14,20H,3,10,12-13H2,1-2H3
InChIKeyMJSPALZVICHBOK-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine
CID 63021469
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
CID 116545311
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-N-ethylethanamine
CID 61033726
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
3-fluoro-5-[2-[1-(propylamino)ethyl]phenyl]benzonitrile
CID 66423884
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006538
N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63423907
N-[1-[2-(2-chloro-4,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 107476928
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine (CID 63020950) is N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-c1ccc2c(c1)COC2.
What is the InChIKey of N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is MJSPALZVICHBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-10-20-14(2)18-6-4-5-7-19(18)15-8-9-16-12-21-13-17(16)11-15/h4-9,11,14,20H,3,10,12-13H2,1-2H3.
What are the key properties of N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63020950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).