N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine

C17H17BrClNO — CID 102772959

IUPACN-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESClc1ccccc1OCc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C17H17BrClNO/c18-15-9-12(10-20-14-7-8-14)5-6-13(15)11-21-17-4-2-1-3-16(17)19/h1-6,9,14,20H,7-8,10-11H2
InChIKeyZDFIPADLAGHYJV-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.93
Rot. Bonds6

About N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine

N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 102772959) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
PubChem CID102772959
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC NameN-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
SMILESClc1ccccc1OCc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C17H17BrClNO/c18-15-9-12(10-20-14-7-8-14)5-6-13(15)11-21-17-4-2-1-3-16(17)19/h1-6,9,14,20H,7-8,10-11H2
InChIKeyZDFIPADLAGHYJV-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17056949
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
N-[[3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]phenyl]methyl]cyclopropanamine
CID 102773650
N-[[3-bromo-4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773946
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17057052
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-bromo-4-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]cyclopropanamine
CID 102774105
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 66534455
N-[[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63498771
N-[[3-bromo-4-(thiophen-2-ylmethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773450
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720191

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine (CID 102772959) is N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine is Clc1ccccc1OCc1ccc(CNC2CC2)cc1Br.
What is the InChIKey of N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is ZDFIPADLAGHYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c18-15-9-12(10-20-14-7-8-14)5-6-13(15)11-21-17-4-2-1-3-16(17)19/h1-6,9,14,20H,7-8,10-11H2.
What are the key properties of N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 366.69 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(2-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102772959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).