1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

C15H15ClN2O2 — CID 61064293

IUPAC1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-17-15(12-4-6-13(16)7-5-12)10-11-2-8-14(9-3-11)18(19)20/h2-9,15,17H,10H2,1H3
InChIKeyUXHJAFADYMCNJX-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (PubChem CID 61064293) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
PubChem CID61064293
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-17-15(12-4-6-13(16)7-5-12)10-11-2-8-14(9-3-11)18(19)20/h2-9,15,17H,10H2,1H3
InChIKeyUXHJAFADYMCNJX-UHFFFAOYSA-N
XLogP3.75
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.75
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-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 82876788
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063783
3-(4-chlorophenyl)-2-(4-nitrophenyl)propanenitrile
CID 71721506
(2S)-2-(methylamino)-2-(4-nitrophenyl)ethanol
CID 55276773
2-(4-chlorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 79430528
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063781
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
1-(2-bromophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064825
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
1-chloro-4-nitrobenzene;ethane
CID 90737802

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (CID 61064293) is 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is CNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The InChIKey is UXHJAFADYMCNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-17-15(12-4-6-13(16)7-5-12)10-11-2-8-14(9-3-11)18(19)20/h2-9,15,17H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine has a molecular weight of 290.75 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 61064293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).