[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine

C15H16N2O4 — CID 106485640

IUPAC[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine
SMILESCCOc1cccc(Oc2ccc(CN)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-2-20-13-4-3-5-14(15(13)17(18)19)21-12-8-6-11(10-16)7-9-12/h3-9H,2,10,16H2,1H3
InChIKeyNSHAAEQZEFMIFQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.24
Rot. Bonds6

About [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine

[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine (PubChem CID 106485640) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine
PubChem CID106485640
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine
SMILESCCOc1cccc(Oc2ccc(CN)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-2-20-13-4-3-5-14(15(13)17(18)19)21-12-8-6-11(10-16)7-9-12/h3-9H,2,10,16H2,1H3
InChIKeyNSHAAEQZEFMIFQ-UHFFFAOYSA-N
XLogP3.24
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(2-fluoroethoxy)-2-nitro-3-phenoxybenzene
CID 88752865
1-ethoxy-3-iodo-2-nitrobenzene
CID 135336837
[4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine
CID 106485742
4-[4-(aminomethyl)phenoxy]-3-nitropyridin-2-amine;4-chloro-3-nitropyridin-2-amine
CID 162140600
2-(3-ethoxy-2-nitrophenyl)acetamide
CID 69300163
[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125464
3-ethoxy-2-nitrobenzoyl chloride
CID 139644234
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
1-(4-benzylphenoxy)-3-methylsulfonyl-2-nitrobenzene
CID 133393862
2-nitro-1,3-dioctoxybenzene
CID 537243
3-(4-chlorophenoxy)-2-nitroaniline
CID 80864379

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine (CID 106485640) is [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine is CCOc1cccc(Oc2ccc(CN)cc2)c1[N+](=O)[O-].
What is the InChIKey of [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine?
The InChIKey is NSHAAEQZEFMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-20-13-4-3-5-14(15(13)17(18)19)21-12-8-6-11(10-16)7-9-12/h3-9H,2,10,16H2,1H3.
What are the key properties of [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine?
[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine has a molecular weight of 288.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 106485640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).