(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine

C14H19F2NO2 — CID 116765464

IUPAC(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
SMILESCCOC1(C(N)c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C14H19F2NO2/c1-2-19-14(5-7-18-8-6-14)13(17)11-4-3-10(15)9-12(11)16/h3-4,9,13H,2,5-8,17H2,1H3
InChIKeyIZZMBWNZMOLURA-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.55
Rot. Bonds4

About (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine

(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine (PubChem CID 116765464) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
PubChem CID116765464
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
SMILESCCOC1(C(N)c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C14H19F2NO2/c1-2-19-14(5-7-18-8-6-14)13(17)11-4-3-10(15)9-12(11)16/h3-4,9,13H,2,5-8,17H2,1H3
InChIKeyIZZMBWNZMOLURA-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
[(4-ethoxyoxan-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105276821
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433961
[2-(2,5-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276798
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
1-[amino-(2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 116947042
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
(5-bromo-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 116761622

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine (CID 116765464) is (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine is CCOC1(C(N)c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine?
The InChIKey is IZZMBWNZMOLURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-2-19-14(5-7-18-8-6-14)13(17)11-4-3-10(15)9-12(11)16/h3-4,9,13H,2,5-8,17H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine?
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine has a molecular weight of 271.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine is sourced from PubChem (CID 116765464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).