2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C19H27NO — CID 115842835

IUPAC2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCc1oc(C)c(C(N)Cc2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C19H27NO/c1-12-13(2)21-14(3)18(12)17(20)11-15-7-9-16(10-8-15)19(4,5)6/h7-10,17H,11,20H2,1-6H3
InChIKeyOSJUGAPOQPBFFN-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.74
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 115842835) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID115842835
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCc1oc(C)c(C(N)Cc2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C19H27NO/c1-12-13(2)21-14(3)18(12)17(20)11-15-7-9-16(10-8-15)19(4,5)6/h7-10,17H,11,20H2,1-6H3
InChIKeyOSJUGAPOQPBFFN-UHFFFAOYSA-N
XLogP4.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2,4,5-trimethylfuran
CID 65152402
2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 43106267
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923357
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153486
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132105
2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
CID 84752961
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
CID 63401736
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 115842871

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 115842835) is 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is Cc1oc(C)c(C(N)Cc2ccc(C(C)(C)C)cc2)c1C.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is OSJUGAPOQPBFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-12-13(2)21-14(3)18(12)17(20)11-15-7-9-16(10-8-15)19(4,5)6/h7-10,17H,11,20H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 115842835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).