4-[(2-methylcyclopropyl)methylamino]phenol

C11H15NO — CID 130679284

IUPAC4-[(2-methylcyclopropyl)methylamino]phenol
SMILESCC1CC1CNc1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-8-6-9(8)7-12-10-2-4-11(13)5-3-10/h2-5,8-9,12-13H,6-7H2,1H3
InChIKeyIVMLJQBVXIWNRM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.46
Rot. Bonds3

About 4-[(2-methylcyclopropyl)methylamino]phenol

4-[(2-methylcyclopropyl)methylamino]phenol (PubChem CID 130679284) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(2-methylcyclopropyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(2-methylcyclopropyl)methylamino]phenol
PubChem CID130679284
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(2-methylcyclopropyl)methylamino]phenol
SMILESCC1CC1CNc1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-8-6-9(8)7-12-10-2-4-11(13)5-3-10/h2-5,8-9,12-13H,6-7H2,1H3
InChIKeyIVMLJQBVXIWNRM-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Acetaminophen
CID 1983
n-Methyl-p-aminophenol
CID 5931
4-Hydroxydiphenylamine
CID 31208
Metol
CID 5930
4-(Dimethylamino)phenol
CID 22174
N-(4-Hydroxyphenyl)glycine
CID 67149
p-(1-Piperazinyl)phenol
CID 92467
4-(Benzylamino)phenol
CID 7637
N-(4-Hydroxyphenyl)propanamide
CID 74325
3-Ethylaminophenol
CID 578991
4'-Hydroxybutyranilide
CID 66874
Phenol, p-(bis(2-bromoethyl)amino)-
CID 89007

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropyl)methylamino]phenol?
The IUPAC name of 4-[(2-methylcyclopropyl)methylamino]phenol (CID 130679284) is 4-[(2-methylcyclopropyl)methylamino]phenol.
What is the SMILES notation for 4-[(2-methylcyclopropyl)methylamino]phenol?
The canonical SMILES for 4-[(2-methylcyclopropyl)methylamino]phenol is CC1CC1CNc1ccc(O)cc1.
What is the InChIKey of 4-[(2-methylcyclopropyl)methylamino]phenol?
The InChIKey is IVMLJQBVXIWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-9(8)7-12-10-2-4-11(13)5-3-10/h2-5,8-9,12-13H,6-7H2,1H3.
What are the key properties of 4-[(2-methylcyclopropyl)methylamino]phenol?
4-[(2-methylcyclopropyl)methylamino]phenol has a molecular weight of 177.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropyl)methylamino]phenol is sourced from PubChem (CID 130679284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).