1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine

C17H23NO — CID 55180294

IUPAC1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
SMILESCC(NCc1ccoc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H23NO/c1-13(18-11-14-9-10-19-12-14)15-5-7-16(8-6-15)17(2,3)4/h5-10,12-13,18H,11H2,1-4H3
InChIKeyYJCYRMVCQRAENK-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.43
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine

1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 55180294) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
PubChem CID55180294
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
SMILESCC(NCc1ccoc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H23NO/c1-13(18-11-14-9-10-19-12-14)15-5-7-16(8-6-15)17(2,3)4/h5-10,12-13,18H,11H2,1-4H3
InChIKeyYJCYRMVCQRAENK-UHFFFAOYSA-N
XLogP4.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine (CID 55180294) is 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine is CC(NCc1ccoc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is YJCYRMVCQRAENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(18-11-14-9-10-19-12-14)15-5-7-16(8-6-15)17(2,3)4/h5-10,12-13,18H,11H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine?
1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 55180294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).