N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine

C17H20N2O2 — CID 61064478

IUPACN-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine
SMILESCCNC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1
InChIInChI=1S/C17H20N2O2/c1-3-18-17(15-6-4-5-13(2)11-15)12-14-7-9-16(10-8-14)19(20)21/h4-11,17-18H,3,12H2,1-2H3
InChIKeyCLEYRDWNGFIBND-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.80
Rot. Bonds6

About N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine

N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine (PubChem CID 61064478) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine
PubChem CID61064478
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine
SMILESCCNC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1
InChIInChI=1S/C17H20N2O2/c1-3-18-17(15-6-4-5-13(2)11-15)12-14-7-9-16(10-8-14)19(20)21/h4-11,17-18H,3,12H2,1-2H3
InChIKeyCLEYRDWNGFIBND-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-(5-bromothiophen-3-yl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107962847
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
N-ethyl-1-(4-methylthiophen-3-yl)-2-(4-nitrophenyl)ethanamine
CID 79802209
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine
CID 63199963
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
CID 82922212
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane
CID 160747845
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
methane;1-methyl-3-propan-2-ylbenzene;1-nitro-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 158098146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine (CID 61064478) is N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine is CCNC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine?
The InChIKey is CLEYRDWNGFIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-18-17(15-6-4-5-13(2)11-15)12-14-7-9-16(10-8-14)19(20)21/h4-11,17-18H,3,12H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine?
N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine has a molecular weight of 284.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 61064478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).