1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine

C18H19NO — CID 60727883

IUPAC1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc3ccccc3o2)cc1C
InChIInChI=1S/C18H19NO/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-10,18H,19H2,1-3H3
InChIKeyFDEJZVQQTYVCNC-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.41
Rot. Bonds2

About 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine

1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine (PubChem CID 60727883) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
PubChem CID60727883
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc3ccccc3o2)cc1C
InChIInChI=1S/C18H19NO/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-10,18H,19H2,1-3H3
InChIKeyFDEJZVQQTYVCNC-UHFFFAOYSA-N
XLogP4.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine (CID 60727883) is 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cc3ccccc3o2)cc1C.
What is the InChIKey of 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is FDEJZVQQTYVCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-11-8-13(3)15(9-12(11)2)18(19)17-10-14-6-4-5-7-16(14)20-17/h4-10,18H,19H2,1-3H3.
What are the key properties of 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine?
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 265.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 60727883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).