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

C15H15ClN2O2 — CID 12909659

IUPAC1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-17-14(12-7-3-4-8-13(12)16)10-11-6-2-5-9-15(11)18(19)20/h2-9,14,17H,10H2,1H3
InChIKeyYVDVXDLKHJOLRY-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.75
Rot. Bonds5

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

1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (PubChem CID 12909659) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
PubChem CID12909659
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-17-14(12-7-3-4-8-13(12)16)10-11-6-2-5-9-15(11)18(19)20/h2-9,14,17H,10H2,1H3
InChIKeyYVDVXDLKHJOLRY-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-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080227
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080048
1-(3-chloro-4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 103222354
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61078228
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (CID 12909659) is 1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The InChIKey is YVDVXDLKHJOLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-17-14(12-7-3-4-8-13(12)16)10-11-6-2-5-9-15(11)18(19)20/h2-9,14,17H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
1-(2-chlorophenyl)-N-methyl-2-(2-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-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 12909659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).