[(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride

C14H20ClNO — CID 70685539

IUPAC[(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H]1c1ccccc1OCC1CC1
InChIInChI=1S/C14H19NO.ClH/c15-8-11-7-13(11)12-3-1-2-4-14(12)16-9-10-5-6-10;/h1-4,10-11,13H,5-9,15H2;1H/t11-,13+;/m0./s1
InChIKeyAVCPPDXOYGDSFJ-STEACBGWSA-N
MW253.77 g/mol
LogP2.96
Rot. Bonds5

About [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride

[(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 70685539) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID70685539
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1C[C@H]1c1ccccc1OCC1CC1
InChIInChI=1S/C14H19NO.ClH/c15-8-11-7-13(11)12-3-1-2-4-14(12)16-9-10-5-6-10;/h1-4,10-11,13H,5-9,15H2;1H/t11-,13+;/m0./s1
InChIKeyAVCPPDXOYGDSFJ-STEACBGWSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride (CID 70685539) is [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride is Cl.NC[C@@H]1C[C@H]1c1ccccc1OCC1CC1.
What is the InChIKey of [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is AVCPPDXOYGDSFJ-STEACBGWSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c15-8-11-7-13(11)12-3-1-2-4-14(12)16-9-10-5-6-10;/h1-4,10-11,13H,5-9,15H2;1H/t11-,13+;/m0./s1.
What are the key properties of [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
[(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 70685539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).