N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

C16H17F2NO2 — CID 62784534

IUPACN-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COc2cc(F)cc(F)c2)oc1CNC1CC1
InChIInChI=1S/C16H17F2NO2/c1-10-4-15(21-16(10)8-19-13-2-3-13)9-20-14-6-11(17)5-12(18)7-14/h4-7,13,19H,2-3,8-9H2,1H3
InChIKeyZVXQMIMBNJBXEQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.70
Rot. Bonds6

About N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62784534) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62784534
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COc2cc(F)cc(F)c2)oc1CNC1CC1
InChIInChI=1S/C16H17F2NO2/c1-10-4-15(21-16(10)8-19-13-2-3-13)9-20-14-6-11(17)5-12(18)7-14/h4-7,13,19H,2-3,8-9H2,1H3
InChIKeyZVXQMIMBNJBXEQ-UHFFFAOYSA-N
XLogP3.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453241
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62453447
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986645
[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62783793
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453224
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 81325778
N-[[3-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 82956792
N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460285
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62486326

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (CID 62784534) is N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is Cc1cc(COc2cc(F)cc(F)c2)oc1CNC1CC1.
What is the InChIKey of N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is ZVXQMIMBNJBXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10-4-15(21-16(10)8-19-13-2-3-13)9-20-14-6-11(17)5-12(18)7-14/h4-7,13,19H,2-3,8-9H2,1H3.
What are the key properties of N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 293.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62784534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).