N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine

C18H25NO2 — CID 62459784

IUPACN-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccccc2C(C)C)c(C)o1
InChIInChI=1S/C18H25NO2/c1-5-19-11-16-10-15(14(4)21-16)12-20-18-9-7-6-8-17(18)13(2)3/h6-10,13,19H,5,11-12H2,1-4H3
InChIKeyBAEZGFDYVPXRBD-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.40
Rot. Bonds7

About N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62459784) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62459784
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccccc2C(C)C)c(C)o1
InChIInChI=1S/C18H25NO2/c1-5-19-11-16-10-15(14(4)21-16)12-20-18-9-7-6-8-17(18)13(2)3/h6-10,13,19H,5,11-12H2,1-4H3
InChIKeyBAEZGFDYVPXRBD-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62454234
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63574464
N-[[4-[(2-propan-2-ylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62459431
N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62445515
N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 63934953
N-[[4-[(2,3-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62453502
N-[[4-[(2,3-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 63490951
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62459784) is N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1cc(COc2ccccc2C(C)C)c(C)o1.
What is the InChIKey of N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is BAEZGFDYVPXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-19-11-16-10-15(14(4)21-16)12-20-18-9-7-6-8-17(18)13(2)3/h6-10,13,19H,5,11-12H2,1-4H3.
What are the key properties of N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62459784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).