2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol

C11H15NO — CID 130839880

IUPAC2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
SMILESCc1cccc(O)c1[C@H](N)C1CC1
InChIInChI=1S/C11H15NO/c1-7-3-2-4-9(13)10(7)11(12)8-5-6-8/h2-4,8,11,13H,5-6,12H2,1H3/t11-/m1/s1
InChIKeyHCAPFTRSVSBVCF-LLVKDONJSA-N
MW177.25 g/mol
LogP2.11
Rot. Bonds2

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

2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol (PubChem CID 130839880) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
PubChem CID130839880
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
SMILESCc1cccc(O)c1[C@H](N)C1CC1
InChIInChI=1S/C11H15NO/c1-7-3-2-4-9(13)10(7)11(12)8-5-6-8/h2-4,8,11,13H,5-6,12H2,1H3/t11-/m1/s1
InChIKeyHCAPFTRSVSBVCF-LLVKDONJSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
CID 131023837
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
CID 167712997
2-[amino(cyclopropyl)methyl]-3-(hydroxymethyl)phenol
CID 130042224
2-[(S)-amino(cyclopropyl)methyl]-5-methylbenzene-1,3-diol
CID 130727329
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol (CID 130839880) is 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol is Cc1cccc(O)c1[C@H](N)C1CC1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol?
The InChIKey is HCAPFTRSVSBVCF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-3-2-4-9(13)10(7)11(12)8-5-6-8/h2-4,8,11,13H,5-6,12H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol?
2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol has a molecular weight of 177.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol is sourced from PubChem (CID 130839880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).