ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol

C14H22FNO — CID 143989612

IUPACethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1c(CNC)cc(C)c(O)c1F.CC
InChIInChI=1S/C12H16FNO.C2H6/c1-4-5-10-9(7-14-3)6-8(2)12(15)11(10)13;1-2/h4-6,14-15H,7H2,1-3H3;1-2H3/b5-4+;
InChIKeyKQQHVRPBGPQKDN-FXRZFVDSSA-N
MW239.33 g/mol
LogP3.62
Rot. Bonds3

About ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol

ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol (PubChem CID 143989612) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol.

Molecular Properties

Compound Nameethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol
PubChem CID143989612
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Nameethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1c(CNC)cc(C)c(O)c1F.CC
InChIInChI=1S/C12H16FNO.C2H6/c1-4-5-10-9(7-14-3)6-8(2)12(15)11(10)13;1-2/h4-6,14-15H,7H2,1-3H3;1-2H3/b5-4+;
InChIKeyKQQHVRPBGPQKDN-FXRZFVDSSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol?
The IUPAC name of ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol (CID 143989612) is ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol.
What is the SMILES notation for ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol?
The canonical SMILES for ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol is C/C=C/c1c(CNC)cc(C)c(O)c1F.CC.
What is the InChIKey of ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol?
The InChIKey is KQQHVRPBGPQKDN-FXRZFVDSSA-N. The full InChI is InChI=1S/C12H16FNO.C2H6/c1-4-5-10-9(7-14-3)6-8(2)12(15)11(10)13;1-2/h4-6,14-15H,7H2,1-3H3;1-2H3/b5-4+;.
What are the key properties of ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol?
ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol has a molecular weight of 239.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol is sourced from PubChem (CID 143989612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).