trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine

C11H15N — CID 93299529

IUPACtrans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
SMILESCc1ccc([C@@H]2C[C@H]2N)c(C)c1
InChIInChI=1S/C11H15N/c1-7-3-4-9(8(2)5-7)10-6-11(10)12/h3-5,10-11H,6,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyKAUJWCLOSGPMGF-WDEREUQCSA-N
MW161.25 g/mol
LogP2.12
Rot. Bonds1

About trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine

trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine (PubChem CID 93299529) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
PubChem CID93299529
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Nametrans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
SMILESCc1ccc([C@@H]2C[C@H]2N)c(C)c1
InChIInChI=1S/C11H15N/c1-7-3-4-9(8(2)5-7)10-6-11(10)12/h3-5,10-11H,6,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyKAUJWCLOSGPMGF-WDEREUQCSA-N
XLogP2.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine (CID 93299529) is trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine is Cc1ccc([C@@H]2C[C@H]2N)c(C)c1.
What is the InChIKey of trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is KAUJWCLOSGPMGF-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15N/c1-7-3-4-9(8(2)5-7)10-6-11(10)12/h3-5,10-11H,6,12H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine?
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 93299529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).