2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol

C12H17NO — CID 130674108

IUPAC2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
SMILESCc1cc(C)c([C@H](N)C2CC2)c(O)c1
InChIInChI=1S/C12H17NO/c1-7-5-8(2)11(10(14)6-7)12(13)9-3-4-9/h5-6,9,12,14H,3-4,13H2,1-2H3/t12-/m1/s1
InChIKeyYOICOOGXLGHQFF-GFCCVEGCSA-N
MW191.27 g/mol
LogP2.42
Rot. Bonds2

About 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol

2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol (PubChem CID 130674108) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
PubChem CID130674108
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
SMILESCc1cc(C)c([C@H](N)C2CC2)c(O)c1
InChIInChI=1S/C12H17NO/c1-7-5-8(2)11(10(14)6-7)12(13)9-3-4-9/h5-6,9,12,14H,3-4,13H2,1-2H3/t12-/m1/s1
InChIKeyYOICOOGXLGHQFF-GFCCVEGCSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.42
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

2-[(S)-amino(cyclopropyl)methyl]-5-methylbenzene-1,3-diol
CID 130727329
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
CID 130839880
(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 63522356
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
CID 171248247
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
2-[(1S)-1-aminopropyl]-3,5-dimethylphenol
CID 130840850
(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol (CID 130674108) is 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol is Cc1cc(C)c([C@H](N)C2CC2)c(O)c1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol?
The InChIKey is YOICOOGXLGHQFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-7-5-8(2)11(10(14)6-7)12(13)9-3-4-9/h5-6,9,12,14H,3-4,13H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol?
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol has a molecular weight of 191.27 g/mol, XLogP of 2.42, 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]-3,5-dimethylphenol is sourced from PubChem (CID 130674108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).