N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine

C18H22N2O3 — CID 60508907

IUPACN-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine
SMILESCCN(Cc1cccc([N+](=O)[O-])c1)C(C)c1cccc(OC)c1
InChIInChI=1S/C18H22N2O3/c1-4-19(13-15-7-5-9-17(11-15)20(21)22)14(2)16-8-6-10-18(12-16)23-3/h5-12,14H,4,13H2,1-3H3
InChIKeyZJIIEIQGIAWLPX-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.19
Rot. Bonds7

About N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine

N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine (PubChem CID 60508907) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine
PubChem CID60508907
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine
SMILESCCN(Cc1cccc([N+](=O)[O-])c1)C(C)c1cccc(OC)c1
InChIInChI=1S/C18H22N2O3/c1-4-19(13-15-7-5-9-17(11-15)20(21)22)14(2)16-8-6-10-18(12-16)23-3/h5-12,14H,4,13H2,1-3H3
InChIKeyZJIIEIQGIAWLPX-UHFFFAOYSA-N
XLogP4.19
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.19
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'}

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Related Compounds

(1S)-N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-nitrophenyl)ethanamine
CID 27119840
[4-[[ethyl-[1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 87016926
N-methyl-1-(3-nitrophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 112841430
N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 106511322
N-[1-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 42841842
N-benzyl-2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 75878483
1-methoxy-3-nitrobenzene;molecular nitrogen;hydrochloride
CID 173306835
3-methoxy-N-[1-(3-nitrophenyl)propyl]aniline
CID 43133301
2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 52525630
(2S)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 2656706
2-[carboxymethyl-[1-(3-nitrophenyl)ethyl]amino]acetic acid
CID 65065601
2-[(3-nitrophenyl)methyl-pentan-3-ylamino]ethanol
CID 62014876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine (CID 60508907) is N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine is CCN(Cc1cccc([N+](=O)[O-])c1)C(C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine?
The InChIKey is ZJIIEIQGIAWLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-19(13-15-7-5-9-17(11-15)20(21)22)14(2)16-8-6-10-18(12-16)23-3/h5-12,14H,4,13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine?
N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine has a molecular weight of 314.39 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 60508907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).