[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine

C10H11BrFNO — CID 112608217

IUPAC[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
SMILESC=C(Br)COc1c(F)cccc1CN
InChIInChI=1S/C10H11BrFNO/c1-7(11)6-14-10-8(5-13)3-2-4-9(10)12/h2-4H,1,5-6,13H2
InChIKeyHSYSVEPLJAWFQR-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.57
Rot. Bonds4

About [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine

[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine (PubChem CID 112608217) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
PubChem CID112608217
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
SMILESC=C(Br)COc1c(F)cccc1CN
InChIInChI=1S/C10H11BrFNO/c1-7(11)6-14-10-8(5-13)3-2-4-9(10)12/h2-4H,1,5-6,13H2
InChIKeyHSYSVEPLJAWFQR-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine
CID 106437085
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112607929
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
[3-fluoro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615174
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine (CID 112608217) is [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine is C=C(Br)COc1c(F)cccc1CN.
What is the InChIKey of [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine?
The InChIKey is HSYSVEPLJAWFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-7(11)6-14-10-8(5-13)3-2-4-9(10)12/h2-4H,1,5-6,13H2.
What are the key properties of [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine?
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine has a molecular weight of 260.11 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 112608217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).