5-(2-aminopropyl)-2-methoxy-4-nitrophenol

C10H14N2O4 — CID 170864461

IUPAC5-(2-aminopropyl)-2-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])c(CC(C)N)cc1O
InChIInChI=1S/C10H14N2O4/c1-6(11)3-7-4-9(13)10(16-2)5-8(7)12(14)15/h4-6,13H,3,11H2,1-2H3
InChIKeyNHADGFDHNCYLTM-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.20
Rot. Bonds4

About 5-(2-aminopropyl)-2-methoxy-4-nitrophenol

5-(2-aminopropyl)-2-methoxy-4-nitrophenol (PubChem CID 170864461) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(2-aminopropyl)-2-methoxy-4-nitrophenol.

Molecular Properties

Compound Name5-(2-aminopropyl)-2-methoxy-4-nitrophenol
PubChem CID170864461
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(2-aminopropyl)-2-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])c(CC(C)N)cc1O
InChIInChI=1S/C10H14N2O4/c1-6(11)3-7-4-9(13)10(16-2)5-8(7)12(14)15/h4-6,13H,3,11H2,1-2H3
InChIKeyNHADGFDHNCYLTM-UHFFFAOYSA-N
XLogP1.20
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
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

4-(2-aminopropyl)-5-nitrobenzene-1,2-diol
CID 131374132
(2S)-2-amino-2-(5-hydroxy-4-methoxy-2-nitrophenyl)acetic acid
CID 66512712
1-(4,5-dimethoxy-2-nitrophenyl)-4-methylpentan-2-ol
CID 83008622
1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine
CID 137354690
3-[(2R)-2-aminopropyl]-4-nitroaniline
CID 130744258
1-(4-bromo-5-fluoro-2-nitrophenyl)propan-2-amine
CID 66110527
(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
CID 163219715
4-[(2S)-2-aminopropyl]-2-nitrophenol
CID 131031140
4-(2,4-dimethoxy-5-nitrophenyl)butan-2-amine
CID 112720882
4-(4-methoxy-2-nitro-5-propoxyphenyl)butan-2-amine
CID 112720436
1-(4,5-dimethoxy-2-nitrophenyl)-N-methylbutan-2-amine
CID 83007872
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-2-methoxy-4-nitrophenol?
The IUPAC name of 5-(2-aminopropyl)-2-methoxy-4-nitrophenol (CID 170864461) is 5-(2-aminopropyl)-2-methoxy-4-nitrophenol.
What is the SMILES notation for 5-(2-aminopropyl)-2-methoxy-4-nitrophenol?
The canonical SMILES for 5-(2-aminopropyl)-2-methoxy-4-nitrophenol is COc1cc([N+](=O)[O-])c(CC(C)N)cc1O.
What is the InChIKey of 5-(2-aminopropyl)-2-methoxy-4-nitrophenol?
The InChIKey is NHADGFDHNCYLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(11)3-7-4-9(13)10(16-2)5-8(7)12(14)15/h4-6,13H,3,11H2,1-2H3.
What are the key properties of 5-(2-aminopropyl)-2-methoxy-4-nitrophenol?
5-(2-aminopropyl)-2-methoxy-4-nitrophenol has a molecular weight of 226.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-2-methoxy-4-nitrophenol is sourced from PubChem (CID 170864461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).