2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol

C11H15NO — CID 130889443

IUPAC2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol
SMILESCc1ccc(O)c([C@@H]2C[C@H]2CN)c1
InChIInChI=1S/C11H15NO/c1-7-2-3-11(13)10(4-7)9-5-8(9)6-12/h2-4,8-9,13H,5-6,12H2,1H3/t8-,9+/m0/s1
InChIKeyCYPDUQGMPPTFEG-DTWKUNHWSA-N
MW177.25 g/mol
LogP1.76
Rot. Bonds2

About 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol

2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol (PubChem CID 130889443) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol
PubChem CID130889443
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol
SMILESCc1ccc(O)c([C@@H]2C[C@H]2CN)c1
InChIInChI=1S/C11H15NO/c1-7-2-3-11(13)10(4-7)9-5-8(9)6-12/h2-4,8-9,13H,5-6,12H2,1H3/t8-,9+/m0/s1
InChIKeyCYPDUQGMPPTFEG-DTWKUNHWSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol?
The IUPAC name of 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol (CID 130889443) is 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol.
What is the SMILES notation for 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol?
The canonical SMILES for 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol is Cc1ccc(O)c([C@@H]2C[C@H]2CN)c1.
What is the InChIKey of 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol?
The InChIKey is CYPDUQGMPPTFEG-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-2-3-11(13)10(4-7)9-5-8(9)6-12/h2-4,8-9,13H,5-6,12H2,1H3/t8-,9+/m0/s1.
What are the key properties of 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol?
2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol has a molecular weight of 177.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol is sourced from PubChem (CID 130889443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).