N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine

C16H14Cl3NO — CID 114855307

IUPACN-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Cl)c(Oc2cc(Cl)ccc2CNC2CC2)c1
InChIInChI=1S/C16H14Cl3NO/c17-11-2-1-10(9-20-13-4-5-13)15(7-11)21-16-8-12(18)3-6-14(16)19/h1-3,6-8,13,20H,4-5,9H2
InChIKeyGBEBBPWATHAWMU-UHFFFAOYSA-N
MW342.65 g/mol
LogP5.69
Rot. Bonds5

About N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine

N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114855307) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID114855307
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC NameN-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Cl)c(Oc2cc(Cl)ccc2CNC2CC2)c1
InChIInChI=1S/C16H14Cl3NO/c17-11-2-1-10(9-20-13-4-5-13)15(7-11)21-16-8-12(18)3-6-14(16)19/h1-3,6-8,13,20H,4-5,9H2
InChIKeyGBEBBPWATHAWMU-UHFFFAOYSA-N
XLogP5.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.65
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374
N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283271
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406574
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857443
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine (CID 114855307) is N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine is Clc1ccc(Cl)c(Oc2cc(Cl)ccc2CNC2CC2)c1.
What is the InChIKey of N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is GBEBBPWATHAWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c17-11-2-1-10(9-20-13-4-5-13)15(7-11)21-16-8-12(18)3-6-14(16)19/h1-3,6-8,13,20H,4-5,9H2.
What are the key properties of N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 342.65 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114855307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).