N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine

C11H16N2O3 — CID 29045280

IUPACN-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O3/c1-3-6-12-8-9-4-5-11(16-2)10(7-9)13(14)15/h4-5,7,12H,3,6,8H2,1-2H3
InChIKeyFGYHVWDETRAZSY-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.10
Rot. Bonds6

About N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine

N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine (PubChem CID 29045280) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
PubChem CID29045280
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O3/c1-3-6-12-8-9-4-5-11(16-2)10(7-9)13(14)15/h4-5,7,12H,3,6,8H2,1-2H3
InChIKeyFGYHVWDETRAZSY-UHFFFAOYSA-N
XLogP2.10
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-(methoxymethoxy)-3-nitrophenyl]methyl]propan-1-amine
CID 65365601
N-[[4-(4-methoxybutoxy)-3-nitrophenyl]methyl]propan-1-amine
CID 104646887
5-[(4-methoxy-3-nitrophenyl)methylamino]pentanenitrile
CID 119124851
N-[(4-methoxy-3-nitrophenyl)methyl]-3-phenoxypropan-1-amine
CID 119126588
N'-(2-methoxyethyl)-N-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62843985
N-[(4-methoxy-3-nitrophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 103650115
N-[(4-but-3-en-2-yloxy-3-nitrophenyl)methyl]propan-1-amine
CID 55067763
N-[(4-methoxy-3-nitrophenyl)methyl]-2-phenylsulfanylethanamine
CID 119126541
3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
CID 65039851
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
1-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylpentan-2-ol
CID 111119053
3-[[(4-methoxy-3-nitrophenyl)methylamino]methyl]hexan-1-ol
CID 103707788

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine (CID 29045280) is N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine is CCCNCc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine?
The InChIKey is FGYHVWDETRAZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-6-12-8-9-4-5-11(16-2)10(7-9)13(14)15/h4-5,7,12H,3,6,8H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine?
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine has a molecular weight of 224.26 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine is sourced from PubChem (CID 29045280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).