2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride

C15H20ClN — CID 122240080

IUPAC2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)Cc1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H19N.ClH/c1-15(2,11-16)10-12-7-8-13-5-3-4-6-14(13)9-12;/h3-9H,10-11,16H2,1-2H3;1H
InChIKeyNARBPBMGPMMEII-UHFFFAOYSA-N
MW249.79 g/mol
LogP3.79
Rot. Bonds3

About 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride

2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride (PubChem CID 122240080) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
PubChem CID122240080
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC Name2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)Cc1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H19N.ClH/c1-15(2,11-16)10-12-7-8-13-5-3-4-6-14(13)9-12;/h3-9H,10-11,16H2,1-2H3;1H
InChIKeyNARBPBMGPMMEII-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride (CID 122240080) is 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride is CC(C)(CN)Cc1ccc2ccccc2c1.Cl.
What is the InChIKey of 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride?
The InChIKey is NARBPBMGPMMEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.ClH/c1-15(2,11-16)10-12-7-8-13-5-3-4-6-14(13)9-12;/h3-9H,10-11,16H2,1-2H3;1H.
What are the key properties of 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride?
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 122240080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).