N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine

C16H17ClN2O2 — CID 43297355

IUPACN-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17ClN2O2/c1-11(13-7-9-14(10-8-13)19(20)21)18-12(2)15-5-3-4-6-16(15)17/h3-12,18H,1-2H3
InChIKeyWSBPRKZWXZAGQP-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.66
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine

N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine (PubChem CID 43297355) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
PubChem CID43297355
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17ClN2O2/c1-11(13-7-9-14(10-8-13)19(20)21)18-12(2)15-5-3-4-6-16(15)17/h3-12,18H,1-2H3
InChIKeyWSBPRKZWXZAGQP-UHFFFAOYSA-N
XLogP4.66
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.66
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

N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
(1R)-1-(4-chlorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81349871
4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
CID 43202684
N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 81403263
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9307115
N-[1-(2-chlorophenyl)ethyl]-2-iodo-4-nitroaniline
CID 66093276
(1S)-1-(4-fluorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81348173
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
(2S)-2-[1-(4-nitrophenyl)ethylamino]-2-phenylethanol
CID 103784100

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine (CID 43297355) is N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine is CC(NC(C)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine?
The InChIKey is WSBPRKZWXZAGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(13-7-9-14(10-8-13)19(20)21)18-12(2)15-5-3-4-6-16(15)17/h3-12,18H,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine?
N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine has a molecular weight of 304.78 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 43297355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).