[(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine

C12H17N — CID 94558188

IUPAC[(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine
SMILESCc1cc(C)cc([C@@H]2C[C@H]2CN)c1
InChIInChI=1S/C12H17N/c1-8-3-9(2)5-10(4-8)12-6-11(12)7-13/h3-5,11-12H,6-7,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyZKURLBGWPAWODG-RYUDHWBXSA-N
MW175.27 g/mol
LogP2.37
Rot. Bonds2

About [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine

[(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine (PubChem CID 94558188) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine
PubChem CID94558188
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name[(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine
SMILESCc1cc(C)cc([C@@H]2C[C@H]2CN)c1
InChIInChI=1S/C12H17N/c1-8-3-9(2)5-10(4-8)12-6-11(12)7-13/h3-5,11-12H,6-7,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyZKURLBGWPAWODG-RYUDHWBXSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine (CID 94558188) is [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine is Cc1cc(C)cc([C@@H]2C[C@H]2CN)c1.
What is the InChIKey of [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine?
The InChIKey is ZKURLBGWPAWODG-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17N/c1-8-3-9(2)5-10(4-8)12-6-11(12)7-13/h3-5,11-12H,6-7,13H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine?
[(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine has a molecular weight of 175.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 94558188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).