1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine

C17H20N2O2 — CID 43223746

IUPAC1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H20N2O2/c1-3-14-8-10-15(11-9-14)13(2)18-12-16-6-4-5-7-17(16)19(20)21/h4-11,13,18H,3,12H2,1-2H3
InChIKeyLPYIPMIQKHILIF-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.01
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine

1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine (PubChem CID 43223746) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
PubChem CID43223746
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H20N2O2/c1-3-14-8-10-15(11-9-14)13(2)18-12-16-6-4-5-7-17(16)19(20)21/h4-11,13,18H,3,12H2,1-2H3
InChIKeyLPYIPMIQKHILIF-UHFFFAOYSA-N
XLogP4.01
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.01
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'}

Analyze 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
(1R)-1-(3-bromophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 81371840
3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
CID 43748437
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 42997256
(1S)-1-(4-methylphenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81349422
N-[1-(4-ethylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 22200976
1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 63062284
N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181334
(1R)-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648797
(1R)-1-(4-bromophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81356224

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine (CID 43223746) is 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine is CCc1ccc(C(C)NCc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine?
The InChIKey is LPYIPMIQKHILIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-14-8-10-15(11-9-14)13(2)18-12-16-6-4-5-7-17(16)19(20)21/h4-11,13,18H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine?
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine has a molecular weight of 284.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 43223746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).