[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine

C11H13ClFNO — CID 106437085

IUPAC[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine
SMILESC/C(=C/Cl)COc1c(F)cccc1CN
InChIInChI=1S/C11H13ClFNO/c1-8(5-12)7-15-11-9(6-14)3-2-4-10(11)13/h2-5H,6-7,14H2,1H3/b8-5-
InChIKeyMKEDAVCZQJSTIN-YVMONPNESA-N
MW229.68 g/mol
LogP2.81
Rot. Bonds4

About [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine

[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine (PubChem CID 106437085) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine
PubChem CID106437085
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine
SMILESC/C(=C/Cl)COc1c(F)cccc1CN
InChIInChI=1S/C11H13ClFNO/c1-8(5-12)7-15-11-9(6-14)3-2-4-10(11)13/h2-5H,6-7,14H2,1H3/b8-5-
InChIKeyMKEDAVCZQJSTIN-YVMONPNESA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
CID 106437083
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
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-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine (CID 106437085) is [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine is C/C(=C/Cl)COc1c(F)cccc1CN.
What is the InChIKey of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine?
The InChIKey is MKEDAVCZQJSTIN-YVMONPNESA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-8(5-12)7-15-11-9(6-14)3-2-4-10(11)13/h2-5H,6-7,14H2,1H3/b8-5-.
What are the key properties of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine?
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine has a molecular weight of 229.68 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 106437085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).