2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride

C12H18ClN — CID 90197722

IUPAC2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride
SMILESCC(C)C1(N)CC1c1ccccc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H
InChIKeyOTWWRHJBUWGBMR-UHFFFAOYSA-N
MW211.74 g/mol
LogP2.95
Rot. Bonds2

About 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride

2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride (PubChem CID 90197722) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride
PubChem CID90197722
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride
SMILESCC(C)C1(N)CC1c1ccccc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H
InChIKeyOTWWRHJBUWGBMR-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride (CID 90197722) is 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride is CC(C)C1(N)CC1c1ccccc1.Cl.
What is the InChIKey of 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride?
The InChIKey is OTWWRHJBUWGBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H.
What are the key properties of 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride?
2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90197722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).