1-(2-methoxy-5-nitrophenyl)propan-1-amine

C10H14N2O3 — CID 43825597

IUPAC1-(2-methoxy-5-nitrophenyl)propan-1-amine
SMILESCCC(N)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H14N2O3/c1-3-9(11)8-6-7(12(13)14)4-5-10(8)15-2/h4-6,9H,3,11H2,1-2H3
InChIKeyXIEXGHSPZPRFPJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.01
Rot. Bonds4

About 1-(2-methoxy-5-nitrophenyl)propan-1-amine

1-(2-methoxy-5-nitrophenyl)propan-1-amine (PubChem CID 43825597) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(2-methoxy-5-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-nitrophenyl)propan-1-amine
PubChem CID43825597
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(2-methoxy-5-nitrophenyl)propan-1-amine
SMILESCCC(N)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H14N2O3/c1-3-9(11)8-6-7(12(13)14)4-5-10(8)15-2/h4-6,9H,3,11H2,1-2H3
InChIKeyXIEXGHSPZPRFPJ-UHFFFAOYSA-N
XLogP2.01
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine
CID 43824948
(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine
CID 103959346
4-hydroxy-4-(2-methoxy-5-nitrophenyl)butan-2-one
CID 4641694
2-bromo-2-(2-methoxy-5-nitrophenyl)acetic acid
CID 18913798
4-amino-1-(2-methoxy-5-nitrophenyl)butane-1,2-diol
CID 171881976
1-[2-(2-chloro-5-nitrophenoxy)phenyl]propan-1-amine
CID 115995697
1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
CID 115995641
2-(2-methoxy-5-nitrophenoxy)butanoic acid
CID 43808815
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
2-(2-ethoxy-5-nitrophenyl)-2-hydroxyacetic acid
CID 131861616
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-nitrophenyl)propan-1-amine?
The IUPAC name of 1-(2-methoxy-5-nitrophenyl)propan-1-amine (CID 43825597) is 1-(2-methoxy-5-nitrophenyl)propan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-nitrophenyl)propan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-nitrophenyl)propan-1-amine is CCC(N)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-nitrophenyl)propan-1-amine?
The InChIKey is XIEXGHSPZPRFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-9(11)8-6-7(12(13)14)4-5-10(8)15-2/h4-6,9H,3,11H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-nitrophenyl)propan-1-amine?
1-(2-methoxy-5-nitrophenyl)propan-1-amine has a molecular weight of 210.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-nitrophenyl)propan-1-amine is sourced from PubChem (CID 43825597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).