4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine

C19H23NO — CID 65446280

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CC(N)CCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H23NO/c1-14-2-4-16(5-3-14)13-18(20)8-6-15-7-9-19-17(12-15)10-11-21-19/h2-5,7,9,12,18H,6,8,10-11,13,20H2,1H3
InChIKeyYTPKWOFWZVWBFX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.43
Rot. Bonds5

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine

4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine (PubChem CID 65446280) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
PubChem CID65446280
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CC(N)CCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H23NO/c1-14-2-4-16(5-3-14)13-18(20)8-6-15-7-9-19-17(12-15)10-11-21-19/h2-5,7,9,12,18H,6,8,10-11,13,20H2,1H3
InChIKeyYTPKWOFWZVWBFX-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
CID 65444965
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445707
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-amine
CID 115864525
1-(3-bromo-4-methylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864516
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
CID 65446028

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine (CID 65446280) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine is Cc1ccc(CC(N)CCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine?
The InChIKey is YTPKWOFWZVWBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-2-4-16(5-3-14)13-18(20)8-6-15-7-9-19-17(12-15)10-11-21-19/h2-5,7,9,12,18H,6,8,10-11,13,20H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 65446280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).