N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine

C17H23NO — CID 115855553

IUPACN-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H23NO/c1-5-18-16(13-10-11-19-12-13)14-8-6-7-9-15(14)17(2,3)4/h6-12,16,18H,5H2,1-4H3
InChIKeyCKAFPEVYCFWFLP-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.28
Rot. Bonds4

About N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine

N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine (PubChem CID 115855553) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
PubChem CID115855553
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H23NO/c1-5-18-16(13-10-11-19-12-13)14-8-6-7-9-15(14)17(2,3)4/h6-12,16,18H,5H2,1-4H3
InChIKeyCKAFPEVYCFWFLP-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369
N-[furan-3-yl-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302725
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[furan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360300
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653731
N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855493
N-[(2-bromo-3,4-difluorophenyl)-(furan-3-yl)methyl]ethanamine
CID 107539344
N-[(2-bromo-6-chlorophenyl)-(furan-3-yl)methyl]ethanamine
CID 114269039
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
CID 43491265
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine (CID 115855553) is N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine is CCNC(c1ccoc1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine?
The InChIKey is CKAFPEVYCFWFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-18-16(13-10-11-19-12-13)14-8-6-7-9-15(14)17(2,3)4/h6-12,16,18H,5H2,1-4H3.
What are the key properties of N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine?
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine is sourced from PubChem (CID 115855553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).