N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine

C19H23NO — CID 43732589

IUPACN-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCCc1ccc(C(CC)Nc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H23NO/c1-3-14-5-7-15(8-6-14)18(4-2)20-17-9-10-19-16(13-17)11-12-21-19/h5-10,13,18,20H,3-4,11-12H2,1-2H3
InChIKeyAYIUBQDZEKTCIR-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.75
Rot. Bonds5

About N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine

N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732589) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732589
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCCc1ccc(C(CC)Nc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H23NO/c1-3-14-5-7-15(8-6-14)18(4-2)20-17-9-10-19-16(13-17)11-12-21-19/h5-10,13,18,20H,3-4,11-12H2,1-2H3
InChIKeyAYIUBQDZEKTCIR-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732686
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-6-methoxypyridin-3-amine
CID 43755895
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193633
1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine
CID 43804336
N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
CID 43788575
N-[1-(4-chlorophenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43096244
2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline
CID 43762666
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline
CID 79759306
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine (CID 43732589) is N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine is CCc1ccc(C(CC)Nc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is AYIUBQDZEKTCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-14-5-7-15(8-6-14)18(4-2)20-17-9-10-19-16(13-17)11-12-21-19/h5-10,13,18,20H,3-4,11-12H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 281.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).