N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine

C14H12Cl2FNO — CID 107577110

IUPACN-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1c(Cl)cc(-c2ccc(CNC3CC3)o2)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-11-5-8(6-12(16)14(11)17)13-4-3-10(19-13)7-18-9-1-2-9/h3-6,9,18H,1-2,7H2
InChIKeyWHHDNTMDKRICIQ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.64
Rot. Bonds4

About N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 107577110) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID107577110
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1c(Cl)cc(-c2ccc(CNC3CC3)o2)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-11-5-8(6-12(16)14(11)17)13-4-3-10(19-13)7-18-9-1-2-9/h3-6,9,18H,1-2,7H2
InChIKeyWHHDNTMDKRICIQ-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 54955493
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 62909759
N-[[5-(5-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888176
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile
CID 106886767
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 82880087
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine (CID 107577110) is N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine is Fc1c(Cl)cc(-c2ccc(CNC3CC3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is WHHDNTMDKRICIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-11-5-8(6-12(16)14(11)17)13-4-3-10(19-13)7-18-9-1-2-9/h3-6,9,18H,1-2,7H2.
What are the key properties of N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 300.16 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107577110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).