2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline

C15H20N2O2 — CID 115413933

IUPAC2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline
SMILESCOc1ccc(CNC(C)Cc2ccco2)c(N)c1
InChIInChI=1S/C15H20N2O2/c1-11(8-14-4-3-7-19-14)17-10-12-5-6-13(18-2)9-15(12)16/h3-7,9,11,17H,8,10,16H2,1-2H3
InChIKeyLANXJESABIOHQZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds6

About 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline

2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline (PubChem CID 115413933) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline
PubChem CID115413933
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline
SMILESCOc1ccc(CNC(C)Cc2ccco2)c(N)c1
InChIInChI=1S/C15H20N2O2/c1-11(8-14-4-3-7-19-14)17-10-12-5-6-13(18-2)9-15(12)16/h3-7,9,11,17H,8,10,16H2,1-2H3
InChIKeyLANXJESABIOHQZ-UHFFFAOYSA-N
XLogP2.59
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 104791634
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
CID 115461702
1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine
CID 62475299
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43432891
3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
CID 102664181
N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432860
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
N-[(4-bromo-2-nitrophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 114381134

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline?
The IUPAC name of 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline (CID 115413933) is 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline.
What is the SMILES notation for 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline?
The canonical SMILES for 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline is COc1ccc(CNC(C)Cc2ccco2)c(N)c1.
What is the InChIKey of 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline?
The InChIKey is LANXJESABIOHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(8-14-4-3-7-19-14)17-10-12-5-6-13(18-2)9-15(12)16/h3-7,9,11,17H,8,10,16H2,1-2H3.
What are the key properties of 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline?
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline has a molecular weight of 260.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline is sourced from PubChem (CID 115413933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).