[4-(2-methoxypropoxy)-3-nitrophenyl]methanamine

C11H16N2O4 — CID 113382672

IUPAC[4-(2-methoxypropoxy)-3-nitrophenyl]methanamine
SMILESCOC(C)COc1ccc(CN)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-8(16-2)7-17-11-4-3-9(6-12)5-10(11)13(14)15/h3-5,8H,6-7,12H2,1-2H3
InChIKeyGVSLEJNVKBCJTG-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.47
Rot. Bonds6

About [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine

[4-(2-methoxypropoxy)-3-nitrophenyl]methanamine (PubChem CID 113382672) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxypropoxy)-3-nitrophenyl]methanamine
PubChem CID113382672
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name[4-(2-methoxypropoxy)-3-nitrophenyl]methanamine
SMILESCOC(C)COc1ccc(CN)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-8(16-2)7-17-11-4-3-9(6-12)5-10(11)13(14)15/h3-5,8H,6-7,12H2,1-2H3
InChIKeyGVSLEJNVKBCJTG-UHFFFAOYSA-N
XLogP1.47
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.47
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-[4-(2-methoxypropoxy)-3-nitrophenyl]-N-methylmethanamine
CID 113382678
[3-nitro-4-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 54958360
2-[4-(aminomethyl)-2-nitrophenoxy]-1-phenylethanol
CID 60880014
2-[4-(aminomethyl)-2-nitrophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61489699
1-(4-ethyl-2-nitrophenoxy)propan-2-amine
CID 102689380
2-[4-(2-methylpropoxy)-3-nitrophenyl]ethanethioamide
CID 82152175
(4-but-2-ynoxy-3-nitrophenyl)methanamine
CID 62311127
[4-(2-chloroprop-2-enoxy)-3-nitrophenyl]methanamine
CID 60877749
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
2-[4-(aminomethyl)-2-nitrophenoxy]acetonitrile
CID 60879441
[3-nitro-4-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 115513068
[4-(3-ethoxypropoxy)-3-nitrophenyl]methanamine
CID 65176012

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine?
The IUPAC name of [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine (CID 113382672) is [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine.
What is the SMILES notation for [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine?
The canonical SMILES for [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine is COC(C)COc1ccc(CN)cc1[N+](=O)[O-].
What is the InChIKey of [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine?
The InChIKey is GVSLEJNVKBCJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(16-2)7-17-11-4-3-9(6-12)5-10(11)13(14)15/h3-5,8H,6-7,12H2,1-2H3.
What are the key properties of [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine?
[4-(2-methoxypropoxy)-3-nitrophenyl]methanamine has a molecular weight of 240.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypropoxy)-3-nitrophenyl]methanamine is sourced from PubChem (CID 113382672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).