2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine

C11H14FNO — CID 103067314

IUPAC2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COc1cc(C)ccc1F
InChIInChI=1S/C11H14FNO/c1-8-3-4-10(12)11(5-8)14-7-9(2)6-13/h3-5H,2,6-7,13H2,1H3
InChIKeyKQOVBEPGWOXNMP-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.03
Rot. Bonds4

About 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine

2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine (PubChem CID 103067314) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
PubChem CID103067314
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CN)COc1cc(C)ccc1F
InChIInChI=1S/C11H14FNO/c1-8-3-4-10(12)11(5-8)14-7-9(2)6-13/h3-5H,2,6-7,13H2,1H3
InChIKeyKQOVBEPGWOXNMP-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103066931
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline
CID 11014135
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161
4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
CID 114672615
4-(2-fluoro-5-methylphenoxy)-3-methylbut-2-enoic acid
CID 77053772
1-(2-fluoro-5-methylphenoxy)-3-(2-fluorophenyl)propan-2-one
CID 64854059
[4-[3-(2-fluoro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 64856154
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine (CID 103067314) is 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine is C=C(CN)COc1cc(C)ccc1F.
What is the InChIKey of 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine?
The InChIKey is KQOVBEPGWOXNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-3-4-10(12)11(5-8)14-7-9(2)6-13/h3-5H,2,6-7,13H2,1H3.
What are the key properties of 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine?
2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103067314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).