2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine

C18H25NO2 — CID 62453088

IUPAC2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCc1ccccc1OCc1cc(C)c(CNCC(C)C)o1
InChIInChI=1S/C18H25NO2/c1-13(2)10-19-11-18-15(4)9-16(21-18)12-20-17-8-6-5-7-14(17)3/h5-9,13,19H,10-12H2,1-4H3
InChIKeyOLJSWMAFVMZQRM-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.22
Rot. Bonds7

About 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62453088) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62453088
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCc1ccccc1OCc1cc(C)c(CNCC(C)C)o1
InChIInChI=1S/C18H25NO2/c1-13(2)10-19-11-18-15(4)9-16(21-18)12-20-17-8-6-5-7-14(17)3/h5-9,13,19H,10-12H2,1-4H3
InChIKeyOLJSWMAFVMZQRM-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63492504
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62446258
N-[[3-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 63649074
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
2-methyl-N-[[3-methyl-5-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]propan-1-amine
CID 81341208
2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441502
2-methyl-N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457691
N-[[5-(3-methoxypropoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073533
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152
1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451768
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine (CID 62453088) is 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine is Cc1ccccc1OCc1cc(C)c(CNCC(C)C)o1.
What is the InChIKey of 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is OLJSWMAFVMZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)10-19-11-18-15(4)9-16(21-18)12-20-17-8-6-5-7-14(17)3/h5-9,13,19H,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62453088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).