(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine

C12H15BrFNO — CID 106646099

IUPAC(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)c2cccc(Br)c2F)CCC1
InChIInChI=1S/C12H15BrFNO/c1-16-12(6-3-7-12)11(15)8-4-2-5-9(13)10(8)14/h2,4-5,11H,3,6-7,15H2,1H3
InChIKeyBFNGZUVTSWRYLW-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.16
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine

(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine (PubChem CID 106646099) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
PubChem CID106646099
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)c2cccc(Br)c2F)CCC1
InChIInChI=1S/C12H15BrFNO/c1-16-12(6-3-7-12)11(15)8-4-2-5-9(13)10(8)14/h2,4-5,11H,3,6-7,15H2,1H3
InChIKeyBFNGZUVTSWRYLW-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
CID 106645189
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 106763038
(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769975
(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713879
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 106268473
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
1-(3-bromo-2-fluorophenyl)-4-methoxypentan-1-amine
CID 106647954

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine (CID 106646099) is (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine is COC1(C(N)c2cccc(Br)c2F)CCC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine?
The InChIKey is BFNGZUVTSWRYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-12(6-3-7-12)11(15)8-4-2-5-9(13)10(8)14/h2,4-5,11H,3,6-7,15H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine?
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine has a molecular weight of 288.16 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine is sourced from PubChem (CID 106646099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).