N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine

C17H17BrFNO — CID 115953688

IUPACN-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cccc(CNC2CC2)c1OCc1ccccc1Br
InChIInChI=1S/C17H17BrFNO/c18-15-6-2-1-4-13(15)11-21-17-12(5-3-7-16(17)19)10-20-14-8-9-14/h1-7,14,20H,8-11H2
InChIKeyOHSZXAZHQBGRPQ-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.42
Rot. Bonds6

About N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine

N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine (PubChem CID 115953688) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
PubChem CID115953688
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC NameN-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cccc(CNC2CC2)c1OCc1ccccc1Br
InChIInChI=1S/C17H17BrFNO/c18-15-6-2-1-4-13(15)11-21-17-12(5-3-7-16(17)19)10-20-14-8-9-14/h1-7,14,20H,8-11H2
InChIKeyOHSZXAZHQBGRPQ-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 82831614
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953673
N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953616
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
CID 112609795
2-[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 61391071
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine (CID 115953688) is N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine is Fc1cccc(CNC2CC2)c1OCc1ccccc1Br.
What is the InChIKey of N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is OHSZXAZHQBGRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-15-6-2-1-4-13(15)11-21-17-12(5-3-7-16(17)19)10-20-14-8-9-14/h1-7,14,20H,8-11H2.
What are the key properties of N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 350.23 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).