1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

C15H14F2N2O2 — CID 61063783

IUPAC1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H14F2N2O2/c1-18-15(13-9-11(16)4-7-14(13)17)8-10-2-5-12(6-3-10)19(20)21/h2-7,9,15,18H,8H2,1H3
InChIKeyPKGHHOXVYRRMFE-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.38
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (PubChem CID 61063783) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
PubChem CID61063783
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F
InChIInChI=1S/C15H14F2N2O2/c1-18-15(13-9-11(16)4-7-14(13)17)8-10-2-5-12(6-3-10)19(20)21/h2-7,9,15,18H,8H2,1H3
InChIKeyPKGHHOXVYRRMFE-UHFFFAOYSA-N
XLogP3.38
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.38
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

2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
1-(2,5-difluorophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 63673272
2-[1-chloro-2-(4-nitrophenyl)ethyl]-1,4-difluorobenzene
CID 63016833
1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 82876788
1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064293
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
1-(2-bromophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064825
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063781
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
2-[1-bromo-2-(4-nitrophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543288
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (CID 61063783) is 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is CNC(Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The InChIKey is PKGHHOXVYRRMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-18-15(13-9-11(16)4-7-14(13)17)8-10-2-5-12(6-3-10)19(20)21/h2-7,9,15,18H,8H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine has a molecular weight of 292.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 61063783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).