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

C10H14N2O3 — CID 176640003

IUPACN-[(3-nitrophenyl)methoxy]propan-1-amine
SMILESCCCNOCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O3/c1-2-6-11-15-8-9-4-3-5-10(7-9)12(13)14/h3-5,7,11H,2,6,8H2,1H3
InChIKeyZXUUHRBUDYGJFK-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.03
Rot. Bonds6

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

N-[(3-nitrophenyl)methoxy]propan-1-amine (PubChem CID 176640003) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methoxy]propan-1-amine
PubChem CID176640003
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-[(3-nitrophenyl)methoxy]propan-1-amine
SMILESCCCNOCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O3/c1-2-6-11-15-8-9-4-3-5-10(7-9)12(13)14/h3-5,7,11H,2,6,8H2,1H3
InChIKeyZXUUHRBUDYGJFK-UHFFFAOYSA-N
XLogP2.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.03
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'}

Analyze N-[(3-nitrophenyl)methoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[(3-nitrophenyl)methoxy]methanamine
CID 175338015
3-[(3-nitrophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62341856
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1-(2,2-dimethylpropyl)-3-nitrobenzene
CID 13119626
1-(2-methoxy-2-methylpropyl)-3-nitrobenzene
CID 14316807
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
3-methyl-N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 61463702
2-methyl-1-(3-nitrophenyl)propan-2-amine
CID 65015484
N-(3-ethoxypropyl)-1-(3-nitrophenyl)methanesulfonamide
CID 92680389

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methoxy]propan-1-amine?
The IUPAC name of N-[(3-nitrophenyl)methoxy]propan-1-amine (CID 176640003) is N-[(3-nitrophenyl)methoxy]propan-1-amine.
What is the SMILES notation for N-[(3-nitrophenyl)methoxy]propan-1-amine?
The canonical SMILES for N-[(3-nitrophenyl)methoxy]propan-1-amine is CCCNOCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-nitrophenyl)methoxy]propan-1-amine?
The InChIKey is ZXUUHRBUDYGJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-6-11-15-8-9-4-3-5-10(7-9)12(13)14/h3-5,7,11H,2,6,8H2,1H3.
What are the key properties of N-[(3-nitrophenyl)methoxy]propan-1-amine?
N-[(3-nitrophenyl)methoxy]propan-1-amine has a molecular weight of 210.23 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methoxy]propan-1-amine is sourced from PubChem (CID 176640003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).