2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine

C19H23NO — CID 79219891

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)CC1COc2ccccc21
InChIInChI=1S/C19H23NO/c1-14-6-2-3-7-16(14)10-15(12-20)11-17-13-21-19-9-5-4-8-18(17)19/h2-9,15,17H,10-13,20H2,1H3
InChIKeyUVOFSWFGEGMLDB-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.68
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 79219891) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID79219891
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)CC1COc2ccccc21
InChIInChI=1S/C19H23NO/c1-14-6-2-3-7-16(14)10-15(12-20)11-17-13-21-19-9-5-4-8-18(17)19/h2-9,15,17H,10-13,20H2,1H3
InChIKeyUVOFSWFGEGMLDB-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine
CID 79229827
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79220400
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
CID 79229508
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 112570233
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)propan-2-amine
CID 79229949
1-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 79230396
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
CID 65409504
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine (CID 79219891) is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CC(CN)CC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is UVOFSWFGEGMLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-6-2-3-7-16(14)10-15(12-20)11-17-13-21-19-9-5-4-8-18(17)19/h2-9,15,17H,10-13,20H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine?
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79219891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).