N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

C17H21NO2 — CID 62453576

IUPACN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(OCc2ccc(CNC3CC3)o2)c1
InChIInChI=1S/C17H21NO2/c1-12-3-4-13(2)17(9-12)19-11-16-8-7-15(20-16)10-18-14-5-6-14/h3-4,7-9,14,18H,5-6,10-11H2,1-2H3
InChIKeyYJJIVEKAUHITNI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.73
Rot. Bonds6

About N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62453576) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62453576
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(OCc2ccc(CNC3CC3)o2)c1
InChIInChI=1S/C17H21NO2/c1-12-3-4-13(2)17(9-12)19-11-16-8-7-15(20-16)10-18-14-5-6-14/h3-4,7-9,14,18H,5-6,10-11H2,1-2H3
InChIKeyYJJIVEKAUHITNI-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine 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-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453224
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986645
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 102986776
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986704
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 102980972

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62453576) is N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is Cc1ccc(C)c(OCc2ccc(CNC3CC3)o2)c1.
What is the InChIKey of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is YJJIVEKAUHITNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-3-4-13(2)17(9-12)19-11-16-8-7-15(20-16)10-18-14-5-6-14/h3-4,7-9,14,18H,5-6,10-11H2,1-2H3.
What are the key properties of N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 271.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62453576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).