2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride

C15H16Cl2N2O2 — CID 17208597

IUPAC2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(CNCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2.ClH/c16-14-5-1-12(2-6-14)9-10-17-11-13-3-7-15(8-4-13)18(19)20;/h1-8,17H,9-11H2;1H
InChIKeyMNZCDXBKUVKDIM-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.00
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride

2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride (PubChem CID 17208597) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
PubChem CID17208597
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(CNCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2.ClH/c16-14-5-1-12(2-6-14)9-10-17-11-13-3-7-15(8-4-13)18(19)20;/h1-8,17H,9-11H2;1H
InChIKeyMNZCDXBKUVKDIM-UHFFFAOYSA-N
XLogP4.00
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-[(3-nitrophenyl)methyl]ethanamine
CID 2063812
4-[2-[(4-nitrophenyl)methylamino]ethyl]benzenesulfonamide
CID 4718991
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 43519911
N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 57030248
N-[(3,5-dimethylphenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 61218332
2-(4-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;oxalic acid
CID 17367876
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 78998989
3-chloro-2-[[2-(4-nitrophenyl)ethylamino]methyl]phenol
CID 78960858
2-(4-nitrophenyl)ethylhydrazine;hydrochloride
CID 69415897
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride (CID 17208597) is 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride is Cl.O=[N+]([O-])c1ccc(CNCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride?
The InChIKey is MNZCDXBKUVKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2.ClH/c16-14-5-1-12(2-6-14)9-10-17-11-13-3-7-15(8-4-13)18(19)20;/h1-8,17H,9-11H2;1H.
What are the key properties of 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride?
2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride has a molecular weight of 327.21 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17208597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).