1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine

C18H25NO2 — CID 62571514

IUPAC1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
SMILESCc1ccc(C(C)C)c(OCCNC(C)c2ccco2)c1
InChIInChI=1S/C18H25NO2/c1-13(2)16-8-7-14(3)12-18(16)21-11-9-19-15(4)17-6-5-10-20-17/h5-8,10,12-13,15,19H,9,11H2,1-4H3
InChIKeyVUXUSCPXTSERMV-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.44
Rot. Bonds7

About 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine

1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine (PubChem CID 62571514) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
PubChem CID62571514
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
SMILESCc1ccc(C(C)C)c(OCCNC(C)c2ccco2)c1
InChIInChI=1S/C18H25NO2/c1-13(2)16-8-7-14(3)12-18(16)21-11-9-19-15(4)17-6-5-10-20-17/h5-8,10,12-13,15,19H,9,11H2,1-4H3
InChIKeyVUXUSCPXTSERMV-UHFFFAOYSA-N
XLogP4.44
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63504935
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62571794
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 107101788
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
3-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine chloride
CID 53347743
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 60664695

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine (CID 62571514) is 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine is Cc1ccc(C(C)C)c(OCCNC(C)c2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine?
The InChIKey is VUXUSCPXTSERMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)16-8-7-14(3)12-18(16)21-11-9-19-15(4)17-6-5-10-20-17/h5-8,10,12-13,15,19H,9,11H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 62571514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).