[(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine

C13H16ClN — CID 105478757

IUPAC[(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine
SMILESNC[C@@H]1CC1(c1ccccc1Cl)C1CC1
InChIInChI=1S/C13H16ClN/c14-12-4-2-1-3-11(12)13(9-5-6-9)7-10(13)8-15/h1-4,9-10H,5-8,15H2/t10-,13?/m0/s1
InChIKeyHNKWWNRVXZWEOP-NKUHCKNESA-N
MW221.73 g/mol
LogP2.97
Rot. Bonds3

About [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine

[(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine (PubChem CID 105478757) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine
PubChem CID105478757
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name[(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine
SMILESNC[C@@H]1CC1(c1ccccc1Cl)C1CC1
InChIInChI=1S/C13H16ClN/c14-12-4-2-1-3-11(12)13(9-5-6-9)7-10(13)8-15/h1-4,9-10H,5-8,15H2/t10-,13?/m0/s1
InChIKeyHNKWWNRVXZWEOP-NKUHCKNESA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine?
The IUPAC name of [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine (CID 105478757) is [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine.
What is the SMILES notation for [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine?
The canonical SMILES for [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine is NC[C@@H]1CC1(c1ccccc1Cl)C1CC1.
What is the InChIKey of [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine?
The InChIKey is HNKWWNRVXZWEOP-NKUHCKNESA-N. The full InChI is InChI=1S/C13H16ClN/c14-12-4-2-1-3-11(12)13(9-5-6-9)7-10(13)8-15/h1-4,9-10H,5-8,15H2/t10-,13?/m0/s1.
What are the key properties of [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine?
[(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine has a molecular weight of 221.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-chlorophenyl)-2-cyclopropylcyclopropyl]methanamine is sourced from PubChem (CID 105478757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).