N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine

C17H24BrNO — CID 82926270

IUPACN-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
SMILESBrc1cccc(CNC2CC2)c1OC1CCCCCC1
InChIInChI=1S/C17H24BrNO/c18-16-9-5-6-13(12-19-14-10-11-14)17(16)20-15-7-3-1-2-4-8-15/h5-6,9,14-15,19H,1-4,7-8,10-12H2
InChIKeyLTBLZZBOFPUMAV-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.80
Rot. Bonds5

About N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine

N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine (PubChem CID 82926270) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
PubChem CID82926270
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
SMILESBrc1cccc(CNC2CC2)c1OC1CCCCCC1
InChIInChI=1S/C17H24BrNO/c18-16-9-5-6-13(12-19-14-10-11-14)17(16)20-15-7-3-1-2-4-8-15/h5-6,9,14-15,19H,1-4,7-8,10-12H2
InChIKeyLTBLZZBOFPUMAV-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]azepan-2-one
CID 61390925
2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 61391935
N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386
2-[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 61391071
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 107743553
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-[[3-bromo-2-(4,4,4-trifluorobutoxy)phenyl]methyl]cyclopropanamine
CID 115513176
N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
CID 112609785
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine (CID 82926270) is N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine is Brc1cccc(CNC2CC2)c1OC1CCCCCC1.
What is the InChIKey of N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine?
The InChIKey is LTBLZZBOFPUMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-16-9-5-6-13(12-19-14-10-11-14)17(16)20-15-7-3-1-2-4-8-15/h5-6,9,14-15,19H,1-4,7-8,10-12H2.
What are the key properties of N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine?
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine has a molecular weight of 338.29 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 82926270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).