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

C12H17F2NO2 — CID 82005395

IUPACN-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COCC(F)F)cc1CNC1CC1
InChIInChI=1S/C12H17F2NO2/c1-8-9(5-15-10-2-3-10)4-11(17-8)6-16-7-12(13)14/h4,10,12,15H,2-3,5-7H2,1H3
InChIKeyMNUAHTRXWKYWEF-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.62
Rot. Bonds7

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

N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 82005395) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID82005395
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC NameN-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COCC(F)F)cc1CNC1CC1
InChIInChI=1S/C12H17F2NO2/c1-8-9(5-15-10-2-3-10)4-11(17-8)6-16-7-12(13)14/h4,10,12,15H,2-3,5-7H2,1H3
InChIKeyMNUAHTRXWKYWEF-UHFFFAOYSA-N
XLogP2.62
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 82006511
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 82005396
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 103181090
N-[[5-(furan-2-ylmethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446362
N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62458955
N-[[2-methyl-5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62485651
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62484961
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 82005381
N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 64712809

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 82005395) is N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1oc(COCC(F)F)cc1CNC1CC1.
What is the InChIKey of N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is MNUAHTRXWKYWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-8-9(5-15-10-2-3-10)4-11(17-8)6-16-7-12(13)14/h4,10,12,15H,2-3,5-7H2,1H3.
What are the key properties of N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 245.27 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82005395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).