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

C18H21NO2 — CID 43732686

IUPACN-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCCC(Nc1ccc2c(c1)CCO2)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO2/c1-3-17(13-4-7-16(20-2)8-5-13)19-15-6-9-18-14(12-15)10-11-21-18/h4-9,12,17,19H,3,10-11H2,1-2H3
InChIKeyWIYXDKPZUBODPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.19
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732686) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732686
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCCC(Nc1ccc2c(c1)CCO2)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO2/c1-3-17(13-4-7-16(20-2)8-5-13)19-15-6-9-18-14(12-15)10-11-21-18/h4-9,12,17,19H,3,10-11H2,1-2H3
InChIKeyWIYXDKPZUBODPE-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-6-methoxypyridin-3-amine
CID 43755895
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
CID 43788575
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193633
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine (CID 43732686) is N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine is CCC(Nc1ccc2c(c1)CCO2)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is WIYXDKPZUBODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-17(13-4-7-16(20-2)8-5-13)19-15-6-9-18-14(12-15)10-11-21-18/h4-9,12,17,19H,3,10-11H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 283.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).