N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

C17H23NO2 — CID 62454677

IUPACN-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cc(CNC(C)C)co2)c(C)c1
InChIInChI=1S/C17H23NO2/c1-12(2)18-9-15-8-16(19-10-15)11-20-17-6-5-13(3)7-14(17)4/h5-8,10,12,18H,9,11H2,1-4H3
InChIKeySJDCHDSVNAUIJV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.97
Rot. Bonds6

About N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62454677) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62454677
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cc(CNC(C)C)co2)c(C)c1
InChIInChI=1S/C17H23NO2/c1-12(2)18-9-15-8-16(19-10-15)11-20-17-6-5-13(3)7-14(17)4/h5-8,10,12,18H,9,11H2,1-4H3
InChIKeySJDCHDSVNAUIJV-UHFFFAOYSA-N
XLogP3.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62460696
N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82422922
N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907945
N-[[2-[(2,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193598
N-[[5-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62449573
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406580
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N-[[5-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66227292
N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine
CID 79679317
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (CID 62454677) is N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is Cc1ccc(OCc2cc(CNC(C)C)co2)c(C)c1.
What is the InChIKey of N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is SJDCHDSVNAUIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)18-9-15-8-16(19-10-15)11-20-17-6-5-13(3)7-14(17)4/h5-8,10,12,18H,9,11H2,1-4H3.
What are the key properties of N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62454677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).