N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine

C16H14BrF2NO — CID 63076138

IUPACN-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(F)c1Oc1ccccc1Br
InChIInChI=1S/C16H14BrF2NO/c17-12-3-1-2-4-15(12)21-16-13(18)7-10(8-14(16)19)9-20-11-5-6-11/h1-4,7-8,11,20H,5-6,9H2
InChIKeyURDNAEFOVJLWBC-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.77
Rot. Bonds5

About N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine

N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine (PubChem CID 63076138) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine
PubChem CID63076138
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(F)c1Oc1ccccc1Br
InChIInChI=1S/C16H14BrF2NO/c17-12-3-1-2-4-15(12)21-16-13(18)7-10(8-14(16)19)9-20-11-5-6-11/h1-4,7-8,11,20H,5-6,9H2
InChIKeyURDNAEFOVJLWBC-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406447
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 65201369
N-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552532
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406552
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine (CID 63076138) is N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(F)c1Oc1ccccc1Br.
What is the InChIKey of N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine?
The InChIKey is URDNAEFOVJLWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c17-12-3-1-2-4-15(12)21-16-13(18)7-10(8-14(16)19)9-20-11-5-6-11/h1-4,7-8,11,20H,5-6,9H2.
What are the key properties of N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine?
N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine has a molecular weight of 354.19 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromophenoxy)-3,5-difluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63076138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).