(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine

C19H21NO — CID 43505413

IUPAC(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2oc3ccc(C)cc3c2C)c1
InChIInChI=1S/C19H21NO/c1-11-5-7-13(3)15(9-11)18(20)19-14(4)16-10-12(2)6-8-17(16)21-19/h5-10,18H,20H2,1-4H3
InChIKeyZCLGJTCNONSKMD-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.71
Rot. Bonds2

About (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine

(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine (PubChem CID 43505413) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
PubChem CID43505413
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2oc3ccc(C)cc3c2C)c1
InChIInChI=1S/C19H21NO/c1-11-5-7-13(3)15(9-11)18(20)19-14(4)16-10-12(2)6-8-17(16)21-19/h5-10,18H,20H2,1-4H3
InChIKeyZCLGJTCNONSKMD-UHFFFAOYSA-N
XLogP4.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
CID 43149723
(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 43505426
(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 54897874
3-[amino-(3,5-dimethyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 63990555
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62073231
(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine
CID 43149687
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
2-iodo-3,5-dimethyl-1-benzofuran
CID 163624789

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine?
The IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine (CID 43505413) is (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine?
The canonical SMILES for (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine is Cc1ccc(C)c(C(N)c2oc3ccc(C)cc3c2C)c1.
What is the InChIKey of (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine?
The InChIKey is ZCLGJTCNONSKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-11-5-7-13(3)15(9-11)18(20)19-14(4)16-10-12(2)6-8-17(16)21-19/h5-10,18H,20H2,1-4H3.
What are the key properties of (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine?
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 43505413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).