trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride

C10H14ClN — CID 118712956

IUPACtrans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESC[C@]1(N)C[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m1./s1
InChIKeyATFVTRDQCBBLIQ-UXQCFNEQSA-N
MW183.68 g/mol
LogP2.31
Rot. Bonds1

About trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride

trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 118712956) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID118712956
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Nametrans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESC[C@]1(N)C[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m1./s1
InChIKeyATFVTRDQCBBLIQ-UXQCFNEQSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride (CID 118712956) is trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride is C[C@]1(N)C[C@@H]1c1ccccc1.Cl.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is ATFVTRDQCBBLIQ-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m1./s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride?
trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118712956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).