N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine

C15H22N2O3 — CID 95627828

IUPACN-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine
SMILESCCN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1
InChIInChI=1S/C15H22N2O3/c1-2-16(11-14-8-10-20-12-14)9-7-13-3-5-15(6-4-13)17(18)19/h3-6,14H,2,7-12H2,1H3/t14-/m1/s1
InChIKeyIAEFHCWRABXMAW-CQSZACIVSA-N
MW278.35 g/mol
LogP2.50
Rot. Bonds7

About N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine

N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine (PubChem CID 95627828) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine
PubChem CID95627828
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine
SMILESCCN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1
InChIInChI=1S/C15H22N2O3/c1-2-16(11-14-8-10-20-12-14)9-7-13-3-5-15(6-4-13)17(18)19/h3-6,14H,2,7-12H2,1H3/t14-/m1/s1
InChIKeyIAEFHCWRABXMAW-CQSZACIVSA-N
XLogP2.50
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]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

N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
CID 63335701
2-(dimethylamino)-N-ethyl-5-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94806475
N-ethyl-3-(4-nitrophenyl)-N-propylpropan-1-amine
CID 68519226
N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716950
N-ethyl-N-[(2-methylphenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 52681109
ethane;1-nitro-4-propylbenzene
CID 123575523
3-[2-(4-ethyl-2-nitrophenyl)ethyl]oxolane
CID 161340759
(1R)-N-methyl-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]ethanamine
CID 124778840
N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 95619761
2-(4-nitrophenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]ethanone
CID 96529063
N,N-diethyl-4-(4-nitrophenyl)butan-1-amine;oxalic acid
CID 173432870
N-chloro-N-methyl-2-(4-nitrophenyl)ethanamine
CID 142452006

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine (CID 95627828) is N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine is CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1.
What is the InChIKey of N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine?
The InChIKey is IAEFHCWRABXMAW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-16(11-14-8-10-20-12-14)9-7-13-3-5-15(6-4-13)17(18)19/h3-6,14H,2,7-12H2,1H3/t14-/m1/s1.
What are the key properties of N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine?
N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine has a molecular weight of 278.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-nitrophenyl)-N-[[(3R)-oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 95627828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).