3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline

C18H21N3O5 — CID 139331354

IUPAC3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline
SMILESCOc1ccc(COc2cc(N3CCOCC3)cc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C18H21N3O5/c1-24-15-4-2-13(3-5-15)12-26-17-11-14(20-6-8-25-9-7-20)10-16(19)18(17)21(22)23/h2-5,10-11H,6-9,12,19H2,1H3
InChIKeyQYWOAMRRPLEMIU-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.60
Rot. Bonds6

About 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline

3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline (PubChem CID 139331354) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline
PubChem CID139331354
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline
SMILESCOc1ccc(COc2cc(N3CCOCC3)cc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C18H21N3O5/c1-24-15-4-2-13(3-5-15)12-26-17-11-14(20-6-8-25-9-7-20)10-16(19)18(17)21(22)23/h2-5,10-11H,6-9,12,19H2,1H3
InChIKeyQYWOAMRRPLEMIU-UHFFFAOYSA-N
XLogP2.60
TPSA100.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine
CID 139342854
4-[5-[(4-methoxyphenyl)methoxy]-2-methylquinazolin-7-yl]morpholine
CID 139330647
2-[(4-methoxyphenyl)methoxy]-N,N,N'-trimethyl-6-(methylideneamino)-4-morpholin-4-ylbenzenecarboximidamide
CID 139338480
4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
CID 3286273
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
CID 15650857
CID 154661760
CID 154661760
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine;4-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-yl-5-nitropyrimidin-4-yl]morpholine
CID 161436210
2-[(4-methoxyphenyl)methyl]-5-morpholin-4-yl-6-nitroisoindole-1,3-dione
CID 46374605
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
2-[(4-methoxyphenyl)methoxy]-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]benzonitrile
CID 157485501
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
CID 170869301

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline (CID 139331354) is 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline is COc1ccc(COc2cc(N3CCOCC3)cc(N)c2[N+](=O)[O-])cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline?
The InChIKey is QYWOAMRRPLEMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-24-15-4-2-13(3-5-15)12-26-17-11-14(20-6-8-25-9-7-20)10-16(19)18(17)21(22)23/h2-5,10-11H,6-9,12,19H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline?
3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline has a molecular weight of 359.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline is sourced from PubChem (CID 139331354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).