cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride

C13H20ClN — CID 86812455

IUPACcis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride
SMILESCC(C)c1ccc([C@@]2(N)C[C@H]2C)cc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-9(2)11-4-6-12(7-5-11)13(14)8-10(13)3;/h4-7,9-10H,8,14H2,1-3H3;1H/t10-,13-;/m1./s1
InChIKeyFOAJLLVDCFAXQB-HTMVYDOJSA-N
MW225.76 g/mol
LogP3.43
Rot. Bonds2

About cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride

cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 86812455) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride
PubChem CID86812455
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Namecis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride
SMILESCC(C)c1ccc([C@@]2(N)C[C@H]2C)cc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-9(2)11-4-6-12(7-5-11)13(14)8-10(13)3;/h4-7,9-10H,8,14H2,1-3H3;1H/t10-,13-;/m1./s1
InChIKeyFOAJLLVDCFAXQB-HTMVYDOJSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride (CID 86812455) is cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride is CC(C)c1ccc([C@@]2(N)C[C@H]2C)cc1.Cl.
What is the InChIKey of cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is FOAJLLVDCFAXQB-HTMVYDOJSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-9(2)11-4-6-12(7-5-11)13(14)8-10(13)3;/h4-7,9-10H,8,14H2,1-3H3;1H/t10-,13-;/m1./s1.
What are the key properties of cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride?
cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 86812455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).