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

C19H27NO — CID 79094081

IUPAC[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(C(C)C)cc2C(C)C)o1
InChIInChI=1S/C19H27NO/c1-6-15-8-10-18(21-15)19(20)16-9-7-14(12(2)3)11-17(16)13(4)5/h7-13,19H,6,20H2,1-5H3
InChIKeyUHVBPZIDAZQHSC-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.14
Rot. Bonds5

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

[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine (PubChem CID 79094081) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
PubChem CID79094081
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(C(C)C)cc2C(C)C)o1
InChIInChI=1S/C19H27NO/c1-6-15-8-10-18(21-15)19(20)16-9-7-14(12(2)3)11-17(16)13(4)5/h7-13,19H,6,20H2,1-5H3
InChIKeyUHVBPZIDAZQHSC-UHFFFAOYSA-N
XLogP5.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran
CID 79096016
(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095609
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 107979824
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758778
(5-ethylfuran-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 79094304
(5-ethylfuran-2-yl)-(5-methylfuran-3-yl)methanamine
CID 114820210
(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 81472297
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanamine
CID 62345330

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine (CID 79094081) is [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine is CCc1ccc(C(N)c2ccc(C(C)C)cc2C(C)C)o1.
What is the InChIKey of [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine?
The InChIKey is UHVBPZIDAZQHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-15-8-10-18(21-15)19(20)16-9-7-14(12(2)3)11-17(16)13(4)5/h7-13,19H,6,20H2,1-5H3.
What are the key properties of [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine?
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine has a molecular weight of 285.43 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 79094081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).