N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine

C15H19BrFNO — CID 103274410

IUPACN-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESFc1ccc(OC2(CCNC3CC3)CCC2)cc1Br
InChIInChI=1S/C15H19BrFNO/c16-13-10-12(4-5-14(13)17)19-15(6-1-7-15)8-9-18-11-2-3-11/h4-5,10-11,18H,1-3,6-9H2
InChIKeyBXNJUMDWRFGBGY-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.03
Rot. Bonds6

About N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine

N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine (PubChem CID 103274410) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine
PubChem CID103274410
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC NameN-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine
SMILESFc1ccc(OC2(CCNC3CC3)CCC2)cc1Br
InChIInChI=1S/C15H19BrFNO/c16-13-10-12(4-5-14(13)17)19-15(6-1-7-15)8-9-18-11-2-3-11/h4-5,10-11,18H,1-3,6-9H2
InChIKeyBXNJUMDWRFGBGY-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274069
N-[2-[1-(5-chloro-2-methylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274216
N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273516
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[2-[1-(4-propylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274011
N-[2-[1-(3-methylsulfonylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273919
N-[2-[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274527
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274444
2-[1-(3,4-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273611
N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine (CID 103274410) is N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine is Fc1ccc(OC2(CCNC3CC3)CCC2)cc1Br.
What is the InChIKey of N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine?
The InChIKey is BXNJUMDWRFGBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c16-13-10-12(4-5-14(13)17)19-15(6-1-7-15)8-9-18-11-2-3-11/h4-5,10-11,18H,1-3,6-9H2.
What are the key properties of N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine?
N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine has a molecular weight of 328.22 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine is sourced from PubChem (CID 103274410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).