N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline

C13H19N3O3 — CID 115553948

IUPACN,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
SMILESCc1cccc([N+](=O)[O-])c1N(C)CC1CNCCO1
InChIInChI=1S/C13H19N3O3/c1-10-4-3-5-12(16(17)18)13(10)15(2)9-11-8-14-6-7-19-11/h3-5,11,14H,6-9H2,1-2H3
InChIKeyNCIMRTBDERPWNO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.33
Rot. Bonds4

About N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline

N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline (PubChem CID 115553948) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline.

Molecular Properties

Compound NameN,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
PubChem CID115553948
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
SMILESCc1cccc([N+](=O)[O-])c1N(C)CC1CNCCO1
InChIInChI=1S/C13H19N3O3/c1-10-4-3-5-12(16(17)18)13(10)15(2)9-11-8-14-6-7-19-11/h3-5,11,14H,6-9H2,1-2H3
InChIKeyNCIMRTBDERPWNO-UHFFFAOYSA-N
XLogP1.33
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.33
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

5-chloro-N,2-dimethyl-N-(morpholin-2-ylmethyl)-4-nitroaniline
CID 115556156
N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine
CID 104540927
5-bromo-4-fluoro-N-methyl-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 116739579
N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
CID 115553862
2-methyl-6-nitro-N-(piperidin-3-ylmethyl)-N-propylaniline
CID 106644069
N,2-dimethyl-N-(2-methylprop-2-enyl)-6-nitroaniline
CID 133439171
N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide
CID 81311080
[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-6-nitrophenyl)methanone
CID 124627712
2,6-dihydroxy-N-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 107690397
N,N'-dimethyl-N'-(2-methyl-6-nitrophenyl)propane-1,3-diamine
CID 115551200
N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline
CID 115237571
N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline?
The IUPAC name of N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline (CID 115553948) is N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline.
What is the SMILES notation for N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline?
The canonical SMILES for N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline is Cc1cccc([N+](=O)[O-])c1N(C)CC1CNCCO1.
What is the InChIKey of N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline?
The InChIKey is NCIMRTBDERPWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-4-3-5-12(16(17)18)13(10)15(2)9-11-8-14-6-7-19-11/h3-5,11,14H,6-9H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline?
N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline has a molecular weight of 265.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline is sourced from PubChem (CID 115553948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).