N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine

C17H17Cl2NO — CID 114857170

IUPACN-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2cc(Cl)ccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c1-11-2-7-16(15(19)8-11)21-17-9-13(18)4-3-12(17)10-20-14-5-6-14/h2-4,7-9,14,20H,5-6,10H2,1H3
InChIKeyNALZBTSCVGSESD-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.35
Rot. Bonds5

About N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine

N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114857170) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID114857170
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2cc(Cl)ccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO/c1-11-2-7-16(15(19)8-11)21-17-9-13(18)4-3-12(17)10-20-14-5-6-14/h2-4,7-9,14,20H,5-6,10H2,1H3
InChIKeyNALZBTSCVGSESD-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283271
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 114857168
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine (CID 114857170) is N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine is Cc1ccc(Oc2cc(Cl)ccc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is NALZBTSCVGSESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-11-2-7-16(15(19)8-11)21-17-9-13(18)4-3-12(17)10-20-14-5-6-14/h2-4,7-9,14,20H,5-6,10H2,1H3.
What are the key properties of N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 322.24 g/mol, XLogP of 5.35, 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-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114857170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).