1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine

C10H14FNO — CID 84659103

IUPAC1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
SMILESCCOc1ccc(CNC)c(F)c1
InChIInChI=1S/C10H14FNO/c1-3-13-9-5-4-8(7-12-2)10(11)6-9/h4-6,12H,3,7H2,1-2H3
InChIKeyPBEXCBRVPPLAEM-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.94
Rot. Bonds4

About 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine

1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine (PubChem CID 84659103) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
PubChem CID84659103
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
SMILESCCOc1ccc(CNC)c(F)c1
InChIInChI=1S/C10H14FNO/c1-3-13-9-5-4-8(7-12-2)10(11)6-9/h4-6,12H,3,7H2,1-2H3
InChIKeyPBEXCBRVPPLAEM-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796
1-[(4-ethoxy-2-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385540
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674
3-(4-ethoxy-2-fluorophenyl)propanal
CID 117286118
4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride
CID 115616005
1-(4-ethoxy-2-fluorophenyl)propan-2-amine
CID 55254145
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798
4-ethoxy-N-[[4-[(4-ethoxyanilino)methyl]-3-fluorophenyl]methyl]aniline
CID 132991407
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine (CID 84659103) is 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine is CCOc1ccc(CNC)c(F)c1.
What is the InChIKey of 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is PBEXCBRVPPLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-13-9-5-4-8(7-12-2)10(11)6-9/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine?
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 183.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 84659103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).