N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine

C15H18N2O3 — CID 63691870

IUPACN-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine
SMILESCCNCCCOc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-2-16-10-5-11-20-15-9-8-14(17(18)19)12-6-3-4-7-13(12)15/h3-4,6-9,16H,2,5,10-11H2,1H3
InChIKeyLNDDABMVQPUXOW-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.13
Rot. Bonds7

About N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine

N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine (PubChem CID 63691870) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine
PubChem CID63691870
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine
SMILESCCNCCCOc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-2-16-10-5-11-20-15-9-8-14(17(18)19)12-6-3-4-7-13(12)15/h3-4,6-9,16H,2,5,10-11H2,1H3
InChIKeyLNDDABMVQPUXOW-UHFFFAOYSA-N
XLogP3.13
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloropropoxy)-4-nitronaphthalene
CID 63690142
1-(5-chloropentoxy)-4-nitronaphthalene
CID 63690144
6-(4-nitronaphthalen-1-yl)oxyhexan-2-one
CID 63691549
4-(4-nitronaphthalen-1-yl)oxybutanoic acid
CID 63690121
3-(4-nitronaphthalen-1-yl)oxypropanenitrile
CID 63690149
N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine
CID 29015980
N-ethyl-3-(3-methyl-4-nitrophenoxy)propan-1-amine
CID 29015276
N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
CID 60863686
ethane;1-(4-nitronaphthalen-1-yl)oxypropan-2-one
CID 143171180
3-(2-chloro-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 29015240
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
2-(4-nitronaphthalen-1-yl)oxyacetamide
CID 55225970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine?
The IUPAC name of N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine (CID 63691870) is N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine?
The canonical SMILES for N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine is CCNCCCOc1ccc([N+](=O)[O-])c2ccccc12.
What is the InChIKey of N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine?
The InChIKey is LNDDABMVQPUXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-16-10-5-11-20-15-9-8-14(17(18)19)12-6-3-4-7-13(12)15/h3-4,6-9,16H,2,5,10-11H2,1H3.
What are the key properties of N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine?
N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine has a molecular weight of 274.32 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine is sourced from PubChem (CID 63691870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).