(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine

C15H14F3NO — CID 103301574

IUPAC(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESCCOc1ccc(C(N)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H14F3NO/c1-2-20-10-5-3-9(4-6-10)15(19)11-7-13(17)14(18)8-12(11)16/h3-8,15H,2,19H2,1H3
InChIKeyGWGNBOUVESXYKF-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.55
Rot. Bonds4

About (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine

(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103301574) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
PubChem CID103301574
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESCCOc1ccc(C(N)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H14F3NO/c1-2-20-10-5-3-9(4-6-10)15(19)11-7-13(17)14(18)8-12(11)16/h3-8,15H,2,19H2,1H3
InChIKeyGWGNBOUVESXYKF-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474116
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
CID 43197133
(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine
CID 43248327
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(4-ethoxyphenyl)-(2-iodophenyl)methanamine
CID 43197172
(4-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722742
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine (CID 103301574) is (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine is CCOc1ccc(C(N)c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is GWGNBOUVESXYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-20-10-5-3-9(4-6-10)15(19)11-7-13(17)14(18)8-12(11)16/h3-8,15H,2,19H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine?
(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 281.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103301574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).