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

C17H23NO2 — CID 62449443

IUPACN-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cc(C)c(CNC(C)C)o2)cc1
InChIInChI=1S/C17H23NO2/c1-12(2)18-10-17-14(4)9-16(20-17)11-19-15-7-5-13(3)6-8-15/h5-9,12,18H,10-11H2,1-4H3
InChIKeyJPGDMGHDUSQWOM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.97
Rot. Bonds6

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

N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62449443) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62449443
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cc(C)c(CNC(C)C)o2)cc1
InChIInChI=1S/C17H23NO2/c1-12(2)18-10-17-14(4)9-16(20-17)11-19-15-7-5-13(3)6-8-15/h5-9,12,18H,10-11H2,1-4H3
InChIKeyJPGDMGHDUSQWOM-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-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63490596
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431400
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63497884
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107
N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 82808168
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081
N-[[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62548082

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine (CID 62449443) is N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine is Cc1ccc(OCc2cc(C)c(CNC(C)C)o2)cc1.
What is the InChIKey of N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is JPGDMGHDUSQWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)18-10-17-14(4)9-16(20-17)11-19-15-7-5-13(3)6-8-15/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-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-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62449443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).