N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine

C16H14ClF2NO — CID 63269312

IUPACN-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(F)c(Oc2cccc(Cl)c2CNC2CC2)c1
InChIInChI=1S/C16H14ClF2NO/c17-13-2-1-3-15(12(13)9-20-11-5-6-11)21-16-8-10(18)4-7-14(16)19/h1-4,7-8,11,20H,5-6,9H2
InChIKeyKKNBDVCPPNNQCL-UHFFFAOYSA-N
MW309.74 g/mol
LogP4.66
Rot. Bonds5

About N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 63269312) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID63269312
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC NameN-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(F)c(Oc2cccc(Cl)c2CNC2CC2)c1
InChIInChI=1S/C16H14ClF2NO/c17-13-2-1-3-15(12(13)9-20-11-5-6-11)21-16-8-10(18)4-7-14(16)19/h1-4,7-8,11,20H,5-6,9H2
InChIKeyKKNBDVCPPNNQCL-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]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-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
N-[[2-(4-bromo-3-fluorophenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 65201184
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 63552228
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine (CID 63269312) is N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine is Fc1ccc(F)c(Oc2cccc(Cl)c2CNC2CC2)c1.
What is the InChIKey of N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is KKNBDVCPPNNQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c17-13-2-1-3-15(12(13)9-20-11-5-6-11)21-16-8-10(18)4-7-14(16)19/h1-4,7-8,11,20H,5-6,9H2.
What are the key properties of N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 309.74 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2,5-difluorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63269312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).