2-nitro-6-(propylaminomethyl)phenol

C10H14N2O3 — CID 138521206

IUPAC2-nitro-6-(propylaminomethyl)phenol
SMILESCCCNCc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C10H14N2O3/c1-2-6-11-7-8-4-3-5-9(10(8)13)12(14)15/h3-5,11,13H,2,6-7H2,1H3
InChIKeyJJOGKAPTTWJCMV-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.80
Rot. Bonds5

About 2-nitro-6-(propylaminomethyl)phenol

2-nitro-6-(propylaminomethyl)phenol (PubChem CID 138521206) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-nitro-6-(propylaminomethyl)phenol.

Molecular Properties

Compound Name2-nitro-6-(propylaminomethyl)phenol
PubChem CID138521206
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-nitro-6-(propylaminomethyl)phenol
SMILESCCCNCc1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C10H14N2O3/c1-2-6-11-7-8-4-3-5-9(10(8)13)12(14)15/h3-5,11,13H,2,6-7H2,1H3
InChIKeyJJOGKAPTTWJCMV-UHFFFAOYSA-N
XLogP1.80
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide
CID 91196196
4-chloro-2-nitro-6-(propylaminomethyl)phenol
CID 115602865
2-(methoxymethyl)-6-nitro-N-propylaniline
CID 107352092
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
N-[(2-nitrophenyl)methyl]nonan-1-amine
CID 60669264
2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide
CID 145093020
N-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79484990
N'-ethyl-N'-methyl-N-[(2-nitrophenyl)methyl]ethane-1,2-diamine
CID 62635543
2-[(2-fluoro-3-nitrophenyl)methylamino]-N-propylacetamide
CID 107348960
4-nitro-2-(propylaminomethyl)phenol
CID 62071273

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-(propylaminomethyl)phenol?
The IUPAC name of 2-nitro-6-(propylaminomethyl)phenol (CID 138521206) is 2-nitro-6-(propylaminomethyl)phenol.
What is the SMILES notation for 2-nitro-6-(propylaminomethyl)phenol?
The canonical SMILES for 2-nitro-6-(propylaminomethyl)phenol is CCCNCc1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-nitro-6-(propylaminomethyl)phenol?
The InChIKey is JJOGKAPTTWJCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-6-11-7-8-4-3-5-9(10(8)13)12(14)15/h3-5,11,13H,2,6-7H2,1H3.
What are the key properties of 2-nitro-6-(propylaminomethyl)phenol?
2-nitro-6-(propylaminomethyl)phenol has a molecular weight of 210.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-(propylaminomethyl)phenol is sourced from PubChem (CID 138521206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).