N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine

C14H21N3O4 — CID 43212568

IUPACN-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNCCN1CCOCC1
InChIInChI=1S/C14H21N3O4/c1-20-14-3-2-13(17(18)19)10-12(14)11-15-4-5-16-6-8-21-9-7-16/h2-3,10,15H,4-9,11H2,1H3
InChIKeyDQHNIJGQPRBPND-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.03
Rot. Bonds7

About N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine

N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 43212568) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID43212568
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CNCCN1CCOCC1
InChIInChI=1S/C14H21N3O4/c1-20-14-3-2-13(17(18)19)10-12(14)11-15-4-5-16-6-8-21-9-7-16/h2-3,10,15H,4-9,11H2,1H3
InChIKeyDQHNIJGQPRBPND-UHFFFAOYSA-N
XLogP1.03
TPSA76.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[[2-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537283
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
3-[(2-methoxy-5-nitrophenyl)methylamino]propan-1-ol
CID 43393003
4,4,4-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]butan-1-amine
CID 115518236
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
7,13-bis[(2-methoxy-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 72950986
N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
CID 83013548
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate
CID 83210722
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine (CID 43212568) is N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine is COc1ccc([N+](=O)[O-])cc1CNCCN1CCOCC1.
What is the InChIKey of N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is DQHNIJGQPRBPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-20-14-3-2-13(17(18)19)10-12(14)11-15-4-5-16-6-8-21-9-7-16/h2-3,10,15H,4-9,11H2,1H3.
What are the key properties of N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 295.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43212568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).