N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

C17H21NO2 — CID 62454708

IUPACN-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(OCc2ccc(CNC3CC3)o2)c1C
InChIInChI=1S/C17H21NO2/c1-12-4-3-5-17(13(12)2)19-11-16-9-8-15(20-16)10-18-14-6-7-14/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3
InChIKeyPFWFMAUTBCKOEF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.73
Rot. Bonds6

About N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62454708) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62454708
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(OCc2ccc(CNC3CC3)o2)c1C
InChIInChI=1S/C17H21NO2/c1-12-4-3-5-17(13(12)2)19-11-16-9-8-15(20-16)10-18-14-6-7-14/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3
InChIKeyPFWFMAUTBCKOEF-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

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Related Compounds

N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62455058
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62453151
N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 107661286
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62484968
N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62454835
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63551432
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986645

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62454708) is N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is Cc1cccc(OCc2ccc(CNC3CC3)o2)c1C.
What is the InChIKey of N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PFWFMAUTBCKOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-3-5-17(13(12)2)19-11-16-9-8-15(20-16)10-18-14-6-7-14/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3.
What are the key properties of N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[(2,3-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-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62454708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).