1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine

C19H21NO — CID 105044033

IUPAC1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1cc2ccccc2o1
InChIInChI=1S/C19H21NO/c1-3-16(14-9-5-4-6-10-14)19(20-2)18-13-15-11-7-8-12-17(15)21-18/h4-13,16,19-20H,3H2,1-2H3
InChIKeyVDKRQHLDNNVAHL-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.89
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine

1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 105044033) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
PubChem CID105044033
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1cc2ccccc2o1
InChIInChI=1S/C19H21NO/c1-3-16(14-9-5-4-6-10-14)19(20-2)18-13-15-11-7-8-12-17(15)21-18/h4-13,16,19-20H,3H2,1-2H3
InChIKeyVDKRQHLDNNVAHL-UHFFFAOYSA-N
XLogP4.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312315
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731162
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43483247
1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine
CID 105045260
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylheptan-1-ol
CID 155814254
1-(1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 63089906

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine (CID 105044033) is 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is VDKRQHLDNNVAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-16(14-9-5-4-6-10-14)19(20-2)18-13-15-11-7-8-12-17(15)21-18/h4-13,16,19-20H,3H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine?
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 105044033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).