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

C14H13ClFNO — CID 54955493

IUPACN-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1cc(-c2ccc(CNC3CC3)o2)ccc1Cl
InChIInChI=1S/C14H13ClFNO/c15-12-5-1-9(7-13(12)16)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2
InChIKeySRRCBIOQKXTFFE-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.99
Rot. Bonds4

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

N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 54955493) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID54955493
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC NameN-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1cc(-c2ccc(CNC3CC3)o2)ccc1Cl
InChIInChI=1S/C14H13ClFNO/c15-12-5-1-9(7-13(12)16)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2
InChIKeySRRCBIOQKXTFFE-UHFFFAOYSA-N
XLogP3.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 107577110
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 62909759
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
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
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-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901
N-[[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 82880087
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine (CID 54955493) is N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine is Fc1cc(-c2ccc(CNC3CC3)o2)ccc1Cl.
What is the InChIKey of N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is SRRCBIOQKXTFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-12-5-1-9(7-13(12)16)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2.
What are the key properties of N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 265.72 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 54955493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).