1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine

C19H21NO2 — CID 146224407

IUPAC1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine
SMILESCC(C)C(N)COc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H21NO2/c1-13(2)17(20)12-21-16-9-7-14(8-10-16)19-11-15-5-3-4-6-18(15)22-19/h3-11,13,17H,12,20H2,1-2H3
InChIKeyDISGHFHRSRTEHH-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.46
Rot. Bonds5

About 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine

1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine (PubChem CID 146224407) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine
PubChem CID146224407
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine
SMILESCC(C)C(N)COc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H21NO2/c1-13(2)17(20)12-21-16-9-7-14(8-10-16)19-11-15-5-3-4-6-18(15)22-19/h3-11,13,17H,12,20H2,1-2H3
InChIKeyDISGHFHRSRTEHH-UHFFFAOYSA-N
XLogP4.46
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
tert-butyl N-[1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]carbamate
CID 146224075
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
5-[4-[[(2S)-1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]-ethylamino]phenyl]-5-oxopentanoic acid
CID 159475007
2-[4-(3-phenoxypropoxy)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide
CID 45270220
2-[4-(1-benzofuran-2-yl)phenyl]ethanamine
CID 110282118
2-[4-(6-phenoxyhexoxy)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide
CID 45271048
methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate
CID 11327979
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine (CID 146224407) is 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine is CC(C)C(N)COc1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine?
The InChIKey is DISGHFHRSRTEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)17(20)12-21-16-9-7-14(8-10-16)19-11-15-5-3-4-6-18(15)22-19/h3-11,13,17H,12,20H2,1-2H3.
What are the key properties of 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine?
1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine has a molecular weight of 295.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine is sourced from PubChem (CID 146224407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).