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

C16H17Cl2NO2 — CID 62450215

IUPACN-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COc2cc(Cl)ccc2Cl)cc1CNC1CC1
InChIInChI=1S/C16H17Cl2NO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-7-12(17)2-5-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyIPFWCUFLKQRBDD-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.73
Rot. Bonds6

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

N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 62450215) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID62450215
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC NameN-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COc2cc(Cl)ccc2Cl)cc1CNC1CC1
InChIInChI=1S/C16H17Cl2NO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-7-12(17)2-5-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyIPFWCUFLKQRBDD-UHFFFAOYSA-N
XLogP4.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63496240
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62460346
N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 64712809
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62484961
1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55077983
N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460285
N-[[4-[(3,4-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62486306
N-[[4-[(4-chloro-3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 82718836
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 114676891
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 62450215) is N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1oc(COc2cc(Cl)ccc2Cl)cc1CNC1CC1.
What is the InChIKey of N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is IPFWCUFLKQRBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-7-12(17)2-5-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3.
What are the key properties of N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 326.22 g/mol, XLogP of 4.73, 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-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62450215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).