[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride

C10H12Cl3N — CID 44572167

IUPAC[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N.ClH/c11-9-3-1-2-7(10(9)12)8-4-6(8)5-13;/h1-3,6,8H,4-5,13H2;1H/t6-,8+;/m1./s1
InChIKeyWANXSJZUKXJLEY-HNJRQZNRSA-N
MW252.57 g/mol
LogP3.48
Rot. Bonds2

About [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44572167) has the molecular formula C10H12Cl3N and a molecular weight of 252.57 g/mol. Its IUPAC name is [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44572167
Molecular FormulaC10H12Cl3N
Molecular Weight252.57 g/mol
Exact Mass251.00
IUPAC Name[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N.ClH/c11-9-3-1-2-7(10(9)12)8-4-6(8)5-13;/h1-3,6,8H,4-5,13H2;1H/t6-,8+;/m1./s1
InChIKeyWANXSJZUKXJLEY-HNJRQZNRSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride (CID 44572167) is [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1cccc(Cl)c1Cl.
What is the InChIKey of [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is WANXSJZUKXJLEY-HNJRQZNRSA-N. The full InChI is InChI=1S/C10H11Cl2N.ClH/c11-9-3-1-2-7(10(9)12)8-4-6(8)5-13;/h1-3,6,8H,4-5,13H2;1H/t6-,8+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 252.57 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).