N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine

C16H14Cl2FNO — CID 106533461

IUPACN-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2FNO/c17-15-4-3-13(8-16(15)18)21-14-6-10(5-11(19)7-14)9-20-12-1-2-12/h3-8,12,20H,1-2,9H2
InChIKeyOGUCAMSKNOGNLY-UHFFFAOYSA-N
MW326.20 g/mol
LogP5.18
Rot. Bonds5

About N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine

N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 106533461) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID106533461
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC NameN-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2FNO/c17-15-4-3-13(8-16(15)18)21-14-6-10(5-11(19)7-14)9-20-12-1-2-12/h3-8,12,20H,1-2,9H2
InChIKeyOGUCAMSKNOGNLY-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.20
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[3-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 106534221
N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81331912
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine (CID 106533461) is N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(Oc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is OGUCAMSKNOGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c17-15-4-3-13(8-16(15)18)21-14-6-10(5-11(19)7-14)9-20-12-1-2-12/h3-8,12,20H,1-2,9H2.
What are the key properties of N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 326.20 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).