(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine

C19H27NO — CID 43464318

IUPAC(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2C(C)C)c(C)o1
InChIInChI=1S/C19H27NO/c1-11(2)15-7-8-16(17(10-15)12(3)4)19(20)18-9-13(5)21-14(18)6/h7-12,19H,20H2,1-6H3
InChIKeyKDJIUUBTCYWLEN-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.19
Rot. Bonds4

About (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine

(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine (PubChem CID 43464318) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
PubChem CID43464318
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2C(C)C)c(C)o1
InChIInChI=1S/C19H27NO/c1-11(2)15-7-8-16(17(10-15)12(3)4)19(20)18-9-13(5)21-14(18)6/h7-12,19H,20H2,1-6H3
InChIKeyKDJIUUBTCYWLEN-UHFFFAOYSA-N
XLogP5.19
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
CID 114819810
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162
(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
CID 43384416
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477083
(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 107960514
(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43464336
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(2,5-dimethylfuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43464205

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine (CID 43464318) is (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine is Cc1cc(C(N)c2ccc(C(C)C)cc2C(C)C)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The InChIKey is KDJIUUBTCYWLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-11(2)15-7-8-16(17(10-15)12(3)4)19(20)18-9-13(5)21-14(18)6/h7-12,19H,20H2,1-6H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine?
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine has a molecular weight of 285.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine is sourced from PubChem (CID 43464318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).