1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine

C19H21NO — CID 105045260

IUPAC1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C19H21NO/c1-3-16(14-7-5-4-6-8-14)19(20)18-12-15-11-13(2)9-10-17(15)21-18/h4-12,16,19H,3,20H2,1-2H3
InChIKeyBAZOYVDSVCNURF-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.93
Rot. Bonds4

About 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine

1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine (PubChem CID 105045260) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine
PubChem CID105045260
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C19H21NO/c1-3-16(14-7-5-4-6-8-14)19(20)18-12-15-11-13(2)9-10-17(15)21-18/h4-12,16,19H,3,20H2,1-2H3
InChIKeyBAZOYVDSVCNURF-UHFFFAOYSA-N
XLogP4.93
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729833
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63542288
1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163947
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208272

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine (CID 105045260) is 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine is CCC(c1ccccc1)C(N)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine?
The InChIKey is BAZOYVDSVCNURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-16(14-7-5-4-6-8-14)19(20)18-12-15-11-13(2)9-10-17(15)21-18/h4-12,16,19H,3,20H2,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine?
1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 105045260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).