(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine

C17H23NO — CID 79095609

IUPAC(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(CC)c(C(N)c2ccc(CC)o2)c1
InChIInChI=1S/C17H23NO/c1-4-12-7-8-13(5-2)15(11-12)17(18)16-10-9-14(6-3)19-16/h7-11,17H,4-6,18H2,1-3H3
InChIKeyNZJKQCPLKLIUOW-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.01
Rot. Bonds5

About (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine

(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 79095609) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
PubChem CID79095609
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(CC)c(C(N)c2ccc(CC)o2)c1
InChIInChI=1S/C17H23NO/c1-4-12-7-8-13(5-2)15(11-12)17(18)16-10-9-14(6-3)19-16/h7-11,17H,4-6,18H2,1-3H3
InChIKeyNZJKQCPLKLIUOW-UHFFFAOYSA-N
XLogP4.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanamine
CID 62345330
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 82783479
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine
CID 81110402
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 107979824
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
(5-ethylfuran-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 79094304
(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758778

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine (CID 79095609) is (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine is CCc1ccc(CC)c(C(N)c2ccc(CC)o2)c1.
What is the InChIKey of (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is NZJKQCPLKLIUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-12-7-8-13(5-2)15(11-12)17(18)16-10-9-14(6-3)19-16/h7-11,17H,4-6,18H2,1-3H3.
What are the key properties of (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine?
(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 79095609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).