N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine

C17H25NO — CID 102653731

IUPACN-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H25NO/c1-5-18-16(15-11-8-12-19-15)13-9-6-7-10-14(13)17(2,3)4/h6-7,9-11,16,18H,5,8,12H2,1-4H3
InChIKeyVDQIJSJROVCUJC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.94
Rot. Bonds4

About N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine

N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine (PubChem CID 102653731) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
PubChem CID102653731
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H25NO/c1-5-18-16(15-11-8-12-19-15)13-9-6-7-10-14(13)17(2,3)4/h6-7,9-11,16,18H,5,8,12H2,1-4H3
InChIKeyVDQIJSJROVCUJC-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
CID 114030284
N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102652042
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 102653722
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369
N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653732
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102648959
N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653177
N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 102653774
1-(2,3-dihydrofuran-5-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 102652083
N-[2,3-dihydrofuran-5-yl-(1-phenylcyclopropyl)methyl]ethanamine
CID 102651499
N-[2,3-dihydrofuran-5-yl(quinolin-6-yl)methyl]ethanamine
CID 102651527

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine (CID 102653731) is N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine is CCNC(C1=CCCO1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
The InChIKey is VDQIJSJROVCUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-18-16(15-11-8-12-19-15)13-9-6-7-10-14(13)17(2,3)4/h6-7,9-11,16,18H,5,8,12H2,1-4H3.
What are the key properties of N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine?
N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.94, 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)-(2,3-dihydrofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 102653731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).