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

C16H14BrCl2NO — CID 43283271

IUPACN-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2cc(Br)ccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C16H14BrCl2NO/c17-11-2-1-10(9-20-13-4-5-13)16(7-11)21-15-6-3-12(18)8-14(15)19/h1-3,6-8,13,20H,4-5,9H2
InChIKeyCYBHTGYVUAGPHU-UHFFFAOYSA-N
MW387.10 g/mol
LogP5.80
Rot. Bonds5

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

N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43283271) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43283271
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC NameN-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2cc(Br)ccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C16H14BrCl2NO/c17-11-2-1-10(9-20-13-4-5-13)16(7-11)21-15-6-3-12(18)8-14(15)19/h1-3,6-8,13,20H,4-5,9H2
InChIKeyCYBHTGYVUAGPHU-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
N-[[4-bromo-2-(4-chloro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282343
N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394
N-[[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63553129
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine (CID 43283271) is N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine is Clc1ccc(Oc2cc(Br)ccc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is CYBHTGYVUAGPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c17-11-2-1-10(9-20-13-4-5-13)16(7-11)21-15-6-3-12(18)8-14(15)19/h1-3,6-8,13,20H,4-5,9H2.
What are the key properties of N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 387.10 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43283271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).