N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine

C21H22N2O3 — CID 11002610

IUPACN-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine
SMILESCN(CCOc1cccc2ccccc12)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H22N2O3/c1-22(14-13-17-9-11-19(12-10-17)23(24)25)15-16-26-21-8-4-6-18-5-2-3-7-20(18)21/h2-12H,13-16H2,1H3
InChIKeyCCICBLAGALIIRD-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.30
Rot. Bonds8

About N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine

N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine (PubChem CID 11002610) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine
PubChem CID11002610
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine
SMILESCN(CCOc1cccc2ccccc12)CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H22N2O3/c1-22(14-13-17-9-11-19(12-10-17)23(24)25)15-16-26-21-8-4-6-18-5-2-3-7-20(18)21/h2-12H,13-16H2,1H3
InChIKeyCCICBLAGALIIRD-UHFFFAOYSA-N
XLogP4.30
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.30
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

N-(2-naphthalen-1-yloxyethyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 11047092
N-methyl-2-(4-nitrophenyl)-N-[2-(4-nitro-2-pyrrol-1-ylphenoxy)ethyl]ethanamine
CID 18789933
N-[2-[(2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothiazin-5-yl)oxy]ethyl]-N-methyl-2-(4-nitrophenyl)ethanamine
CID 67838106
2-(3,4-dimethoxyphenyl)-N-methyl-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 18789949
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
methyl 2-[[2-[2-[methyl-[2-(4-nitrophenyl)ethyl]amino]ethoxy]-5-nitrobenzoyl]amino]acetate
CID 164811834
[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 43520060
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
CID 19174635
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
1-(2-nitroethoxy)naphthalene
CID 1313716
1-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
N-methyl-N-[naphthalen-1-yloxy-(4-nitrophenoxy)phosphanyl]methanamine
CID 144592421

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine?
The IUPAC name of N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine (CID 11002610) is N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine is CN(CCOc1cccc2ccccc12)CCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine?
The InChIKey is CCICBLAGALIIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-22(14-13-17-9-11-19(12-10-17)23(24)25)15-16-26-21-8-4-6-18-5-2-3-7-20(18)21/h2-12H,13-16H2,1H3.
What are the key properties of N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine?
N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine has a molecular weight of 350.42 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 11002610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).