[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine

C10H11Cl2N — CID 94557667

IUPAC[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N/c11-7-1-2-8(10(12)4-7)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9-/m0/s1
InChIKeyQQFQGKPYXWBPBJ-RCOVLWMOSA-N
MW216.11 g/mol
LogP3.06
Rot. Bonds2

About [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine

[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine (PubChem CID 94557667) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
PubChem CID94557667
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N/c11-7-1-2-8(10(12)4-7)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9-/m0/s1
InChIKeyQQFQGKPYXWBPBJ-RCOVLWMOSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine (CID 94557667) is [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine is NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine?
The InChIKey is QQFQGKPYXWBPBJ-RCOVLWMOSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-7-1-2-8(10(12)4-7)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9-/m0/s1.
What are the key properties of [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine?
[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine has a molecular weight of 216.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 94557667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).