6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol

C10H14N2O3 — CID 131506151

IUPAC6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol
SMILESCC[C@@H](N)c1ccc(C)c([N+](=O)[O-])c1O
InChIInChI=1S/C10H14N2O3/c1-3-8(11)7-5-4-6(2)9(10(7)13)12(14)15/h4-5,8,13H,3,11H2,1-2H3/t8-/m1/s1
InChIKeyLFIWXCHFPHEXKN-MRVPVSSYSA-N
MW210.23 g/mol
LogP2.02
Rot. Bonds3

About 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol

6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol (PubChem CID 131506151) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol.

Molecular Properties

Compound Name6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol
PubChem CID131506151
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol
SMILESCC[C@@H](N)c1ccc(C)c([N+](=O)[O-])c1O
InChIInChI=1S/C10H14N2O3/c1-3-8(11)7-5-4-6(2)9(10(7)13)12(14)15/h4-5,8,13H,3,11H2,1-2H3/t8-/m1/s1
InChIKeyLFIWXCHFPHEXKN-MRVPVSSYSA-N
XLogP2.02
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

6-[(1R)-1-aminobutyl]-3-methyl-2-nitrophenol
CID 171258607
6-[(1S)-1,3-diaminopropyl]-3-methyl-2-nitrophenol;hydrochloride
CID 171255273
6-[(1R)-1-aminoprop-2-enyl]-3-methyl-2-nitrophenol;hydrochloride
CID 171258574
6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
CID 131475393
6-[(S)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
CID 131556344
6-[(S)-amino(cyclohexyl)methyl]-3-methyl-2-nitrophenol
CID 171255254
3-methyl-2-nitro-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171299157
6-[(R)-amino(oxan-4-yl)methyl]-3-methyl-2-nitrophenol;hydrochloride
CID 171258604
1-[2-(3-methyl-2-nitrophenoxy)phenyl]propan-1-amine
CID 115995653
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
6-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-3-methyl-2-nitrophenol
CID 171301644

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol?
The IUPAC name of 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol (CID 131506151) is 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol.
What is the SMILES notation for 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol?
The canonical SMILES for 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol is CC[C@@H](N)c1ccc(C)c([N+](=O)[O-])c1O.
What is the InChIKey of 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol?
The InChIKey is LFIWXCHFPHEXKN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-8(11)7-5-4-6(2)9(10(7)13)12(14)15/h4-5,8,13H,3,11H2,1-2H3/t8-/m1/s1.
What are the key properties of 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol?
6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol has a molecular weight of 210.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol is sourced from PubChem (CID 131506151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).