1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

C15H14ClFN2O2 — CID 82876788

IUPAC1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-18-15(11-4-7-14(17)13(16)9-11)8-10-2-5-12(6-3-10)19(20)21/h2-7,9,15,18H,8H2,1H3
InChIKeyAOWUFCKWTQMTFJ-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (PubChem CID 82876788) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
PubChem CID82876788
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c1-18-15(11-4-7-14(17)13(16)9-11)8-10-2-5-12(6-3-10)19(20)21/h2-7,9,15,18H,8H2,1H3
InChIKeyAOWUFCKWTQMTFJ-UHFFFAOYSA-N
XLogP3.89
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.89
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

1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064293
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063783
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063781
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63418484
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (CID 82876788) is 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is CNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The InChIKey is AOWUFCKWTQMTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-18-15(11-4-7-14(17)13(16)9-11)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-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine has a molecular weight of 308.74 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 82876788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).