N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine

C17H21NO2 — CID 76943559

IUPACN-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine
SMILESCC=Cc1ccccc1OCc1cc(CNC)c(C)o1
InChIInChI=1S/C17H21NO2/c1-4-7-14-8-5-6-9-17(14)19-12-16-10-15(11-18-3)13(2)20-16/h4-10,18H,11-12H2,1-3H3
InChIKeyXZWRMADLQXGPFE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.92
Rot. Bonds6

About N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine

N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine (PubChem CID 76943559) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine
PubChem CID76943559
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine
SMILESCC=Cc1ccccc1OCc1cc(CNC)c(C)o1
InChIInChI=1S/C17H21NO2/c1-4-7-14-8-5-6-9-17(14)19-12-16-10-15(11-18-3)13(2)20-16/h4-10,18H,11-12H2,1-3H3
InChIKeyXZWRMADLQXGPFE-UHFFFAOYSA-N
XLogP3.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604
1-[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62453040
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170
5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
CID 659897
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 63937390
N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63647388
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62430748

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine (CID 76943559) is N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine is CC=Cc1ccccc1OCc1cc(CNC)c(C)o1.
What is the InChIKey of N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is XZWRMADLQXGPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-7-14-8-5-6-9-17(14)19-12-16-10-15(11-18-3)13(2)20-16/h4-10,18H,11-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine?
N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 76943559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).