[4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride

C12H16ClN — CID 163342162

IUPAC[4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(C23CC(C2)C3)cc1
InChIInChI=1S/C12H15N.ClH/c13-8-9-1-3-11(4-2-9)12-5-10(6-12)7-12;/h1-4,10H,5-8,13H2;1H
InChIKeyNYRQKIBMMFVGPB-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.62
Rot. Bonds2

About [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride

[4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride (PubChem CID 163342162) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride
PubChem CID163342162
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name[4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(C23CC(C2)C3)cc1
InChIInChI=1S/C12H15N.ClH/c13-8-9-1-3-11(4-2-9)12-5-10(6-12)7-12;/h1-4,10H,5-8,13H2;1H
InChIKeyNYRQKIBMMFVGPB-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride (CID 163342162) is [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(C23CC(C2)C3)cc1.
What is the InChIKey of [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride?
The InChIKey is NYRQKIBMMFVGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.ClH/c13-8-9-1-3-11(4-2-9)12-5-10(6-12)7-12;/h1-4,10H,5-8,13H2;1H.
What are the key properties of [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride?
[4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 163342162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).