N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine

C17H23NO2 — CID 62454694

IUPACN-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
SMILESCNCc1oc(COc2cccc(C(C)C)c2)cc1C
InChIInChI=1S/C17H23NO2/c1-12(2)14-6-5-7-15(9-14)19-11-16-8-13(3)17(20-16)10-18-4/h5-9,12,18H,10-11H2,1-4H3
InChIKeyRKAQBQCNBFMMTO-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.01
Rot. Bonds6

About N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine

N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62454694) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62454694
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
SMILESCNCc1oc(COc2cccc(C(C)C)c2)cc1C
InChIInChI=1S/C17H23NO2/c1-12(2)14-6-5-7-15(9-14)19-11-16-8-13(3)17(20-16)10-18-4/h5-9,12,18H,10-11H2,1-4H3
InChIKeyRKAQBQCNBFMMTO-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3-ethylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451776
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 115402794
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63490596
[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62440838
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62453447
1-[5-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 63272857

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine (CID 62454694) is N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine is CNCc1oc(COc2cccc(C(C)C)c2)cc1C.
What is the InChIKey of N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is RKAQBQCNBFMMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)14-6-5-7-15(9-14)19-11-16-8-13(3)17(20-16)10-18-4/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62454694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).