2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline

C19H19N3O3 — CID 23291448

IUPAC2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline
SMILESNc1c(OCCNCc2cccc3ccccc23)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O3/c20-19-17(22(23)24)9-4-10-18(19)25-12-11-21-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10,21H,11-13,20H2
InChIKeyKUCXJIHSKKHDNN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.50
Rot. Bonds7

About 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline

2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline (PubChem CID 23291448) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline.

Molecular Properties

Compound Name2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline
PubChem CID23291448
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline
SMILESNc1c(OCCNCc2cccc3ccccc23)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O3/c20-19-17(22(23)24)9-4-10-18(19)25-12-11-21-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10,21H,11-13,20H2
InChIKeyKUCXJIHSKKHDNN-UHFFFAOYSA-N
XLogP3.50
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-nitro-6-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]aniline
CID 23291462
2-[2-[(2-nitrophenyl)methylamino]ethoxy]benzoic acid
CID 71156702
2-[2-(benzylamino)ethoxy]-N-methyl-6-nitroaniline
CID 18691469
2-[2-[(2-naphthalen-1-yloxyethylamino)methyl]phenyl]sulfanylaniline
CID 141088593
N-benzyl-2-(2-nitrophenoxy)ethanamine;oxalic acid
CID 2935371
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide
CID 5115810
N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine;trihydrochloride
CID 175115663
2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine
CID 104562118
4-chloro-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline
CID 23291456
N'-[(2-nitrophenyl)methyl]propane-1,3-diamine
CID 60887414
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038

Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline?
The IUPAC name of 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline (CID 23291448) is 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline.
What is the SMILES notation for 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline?
The canonical SMILES for 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline is Nc1c(OCCNCc2cccc3ccccc23)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline?
The InChIKey is KUCXJIHSKKHDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-19-17(22(23)24)9-4-10-18(19)25-12-11-21-13-15-7-3-6-14-5-1-2-8-16(14)15/h1-10,21H,11-13,20H2.
What are the key properties of 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline?
2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline has a molecular weight of 337.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline is sourced from PubChem (CID 23291448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).