N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine

C16H15BrFNO — CID 81331912

IUPACN-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(Oc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C16H15BrFNO/c17-12-7-13(18)9-16(8-12)20-15-3-1-2-11(6-15)10-19-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2
InChIKeyZSJGTCHRWIEWJU-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.63
Rot. Bonds5

About N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine

N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 81331912) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID81331912
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(Oc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C16H15BrFNO/c17-12-7-13(18)9-16(8-12)20-15-3-1-2-11(6-15)10-19-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2
InChIKeyZSJGTCHRWIEWJU-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 81326156
4-[3-[(cyclopropylamino)methyl]phenoxy]aniline
CID 116996638
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908528
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[[3-(3-nitrophenoxy)phenyl]methyl]cyclopropanamine
CID 63942130
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine (CID 81331912) is N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine is Fc1cc(Br)cc(Oc2cccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is ZSJGTCHRWIEWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-12-7-13(18)9-16(8-12)20-15-3-1-2-11(6-15)10-19-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2.
What are the key properties of N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 336.20 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 81331912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).