6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol

C11H14N2O3 — CID 131475393

IUPAC6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
SMILESCc1ccc([C@H](N)C2CC2)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-6-2-5-8(9(12)7-3-4-7)11(14)10(6)13(15)16/h2,5,7,9,14H,3-4,12H2,1H3/t9-/m1/s1
InChIKeyVPMJXQFGBYAGSQ-SECBINFHSA-N
MW222.24 g/mol
LogP2.02
Rot. Bonds3

About 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol

6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol (PubChem CID 131475393) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol.

Molecular Properties

Compound Name6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
PubChem CID131475393
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
SMILESCc1ccc([C@H](N)C2CC2)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-6-2-5-8(9(12)7-3-4-7)11(14)10(6)13(15)16/h2,5,7,9,14H,3-4,12H2,1H3/t9-/m1/s1
InChIKeyVPMJXQFGBYAGSQ-SECBINFHSA-N
XLogP2.02
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
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-[(S)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
CID 131556344
6-[(S)-amino(cyclohexyl)methyl]-3-methyl-2-nitrophenol
CID 171255254
6-[(R)-amino(oxan-4-yl)methyl]-3-methyl-2-nitrophenol;hydrochloride
CID 171258604
6-[(1R)-1-aminoprop-2-enyl]-3-methyl-2-nitrophenol;hydrochloride
CID 171258574
6-[(1R)-1-aminopropyl]-3-methyl-2-nitrophenol
CID 131506151
6-[(1R)-1-aminobutyl]-3-methyl-2-nitrophenol
CID 171258607
6-[(1S)-1,3-diaminopropyl]-3-methyl-2-nitrophenol;hydrochloride
CID 171255273
6-[(S)-amino(cyclohexyl)methyl]-2-fluoro-3-methylphenol;hydrochloride
CID 171253430
2-[(S)-amino(cyclobutyl)methyl]-6-methyl-3-nitrophenol
CID 171255305
2-[(R)-amino(cyclobutyl)methyl]-6-methyl-3-nitrophenol
CID 171258648
1-(2-hydroxy-4-methyl-3-nitrophenyl)ethanone
CID 89409027
3-methyl-2-nitro-6-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171299155

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol?
The IUPAC name of 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol (CID 131475393) is 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol.
What is the SMILES notation for 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol?
The canonical SMILES for 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol is Cc1ccc([C@H](N)C2CC2)c(O)c1[N+](=O)[O-].
What is the InChIKey of 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol?
The InChIKey is VPMJXQFGBYAGSQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-2-5-8(9(12)7-3-4-7)11(14)10(6)13(15)16/h2,5,7,9,14H,3-4,12H2,1H3/t9-/m1/s1.
What are the key properties of 6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol?
6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol has a molecular weight of 222.24 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-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol is sourced from PubChem (CID 131475393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).