(3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine

C15H14F2N2O2 — CID 43824965

IUPAC(3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine
SMILESCCc1ccc([N+](=O)[O-])cc1C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N2O2/c1-2-9-3-4-13(19(20)21)8-14(9)15(18)10-5-11(16)7-12(17)6-10/h3-8,15H,2,18H2,1H3
InChIKeyOEVYOJSVCHPFTK-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.48
Rot. Bonds4

About (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine

(3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine (PubChem CID 43824965) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine
PubChem CID43824965
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name(3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine
SMILESCCc1ccc([N+](=O)[O-])cc1C(N)c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N2O2/c1-2-9-3-4-13(19(20)21)8-14(9)15(18)10-5-11(16)7-12(17)6-10/h3-8,15H,2,18H2,1H3
InChIKeyOEVYOJSVCHPFTK-UHFFFAOYSA-N
XLogP3.48
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,5-difluorophenyl)-(2-ethylphenyl)methanamine
CID 115851700
(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine
CID 43824948
(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825316
2-ethyl-5-nitrophenol
CID 18980077
(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine
CID 171205955
(1S)-2,2,2-trifluoro-1-(2-fluoro-5-nitrophenyl)ethanamine
CID 66511161
1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825307
(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
CID 171225553
(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43825315
1-(2-fluoro-4-nitrophenyl)propan-2-ol
CID 63201423
(1R)-1-(2-fluoro-5-nitrophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205958
1-[[2-(difluoromethyl)-4-nitrophenyl]methyl]-4-ethylpiperazine
CID 166090592

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine (CID 43824965) is (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine is CCc1ccc([N+](=O)[O-])cc1C(N)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine?
The InChIKey is OEVYOJSVCHPFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-9-3-4-13(19(20)21)8-14(9)15(18)10-5-11(16)7-12(17)6-10/h3-8,15H,2,18H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine?
(3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine has a molecular weight of 292.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2-ethyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 43824965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).