N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine

C16H14Cl3NO — CID 81151000

IUPACN-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2ccc(CNC3CC3)cc2Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NO/c17-13-5-4-12(8-14(13)18)21-16-6-1-10(7-15(16)19)9-20-11-2-3-11/h1,4-8,11,20H,2-3,9H2
InChIKeyKSXKMEPFZIFGTO-UHFFFAOYSA-N
MW342.65 g/mol
LogP5.69
Rot. Bonds5

About N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine

N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 81151000) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID81151000
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC NameN-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2ccc(CNC3CC3)cc2Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NO/c17-13-5-4-12(8-14(13)18)21-16-6-1-10(7-15(16)19)9-20-11-2-3-11/h1,4-8,11,20H,2-3,9H2
InChIKeyKSXKMEPFZIFGTO-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-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[4-(4-bromophenoxy)-3-chlorophenyl]methyl]cyclopropanamine
CID 81155198
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105407336
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine (CID 81151000) is N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine is Clc1ccc(Oc2ccc(CNC3CC3)cc2Cl)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is KSXKMEPFZIFGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c17-13-5-4-12(8-14(13)18)21-16-6-1-10(7-15(16)19)9-20-11-2-3-11/h1,4-8,11,20H,2-3,9H2.
What are the key properties of N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-chloro-4-(3,4-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-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 81151000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).