N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

C16H17Cl2NO2 — CID 62460285

IUPACN-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COc2ccc(Cl)cc2Cl)oc1CNC1CC1
InChIInChI=1S/C16H17Cl2NO2/c1-10-6-13(21-16(10)8-19-12-3-4-12)9-20-15-5-2-11(17)7-14(15)18/h2,5-7,12,19H,3-4,8-9H2,1H3
InChIKeyCDRPACVYMWZYJV-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.73
Rot. Bonds6

About N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62460285) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62460285
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC NameN-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1cc(COc2ccc(Cl)cc2Cl)oc1CNC1CC1
InChIInChI=1S/C16H17Cl2NO2/c1-10-6-13(21-16(10)8-19-12-3-4-12)9-20-15-5-2-11(17)7-14(15)18/h2,5-7,12,19H,3-4,8-9H2,1H3
InChIKeyCDRPACVYMWZYJV-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

Analyze N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453224
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460870
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986645
N-[[3-methyl-5-(phenoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62453447
N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453241
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62784534
1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62450823
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63497884
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-[(2-chloro-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63495955

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (CID 62460285) is N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is Cc1cc(COc2ccc(Cl)cc2Cl)oc1CNC1CC1.
What is the InChIKey of N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is CDRPACVYMWZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-10-6-13(21-16(10)8-19-12-3-4-12)9-20-15-5-2-11(17)7-14(15)18/h2,5-7,12,19H,3-4,8-9H2,1H3.
What are the key properties of N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-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-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62460285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).