4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride

C10H16ClNO — CID 131708485

IUPAC4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(CCc1ccc(O)cc1)C([2H])([2H])[2H]
InChIInChI=1S/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H/i1D3,2D3;
InChIKeyKIZRJFIRFPIRFS-TXHXQZCNSA-N
MW207.73 g/mol
LogP1.92
Rot. Bonds5

About 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride

4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride (PubChem CID 131708485) has the molecular formula C10H16ClNO and a molecular weight of 207.73 g/mol. Its IUPAC name is 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride
PubChem CID131708485
Molecular FormulaC10H16ClNO
Molecular Weight207.73 g/mol
Exact Mass207.13
IUPAC Name4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(CCc1ccc(O)cc1)C([2H])([2H])[2H]
InChIInChI=1S/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H/i1D3,2D3;
InChIKeyKIZRJFIRFPIRFS-TXHXQZCNSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-butylphenol;tungsten
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CID 10735648
CID 10735648
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride?
The IUPAC name of 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride (CID 131708485) is 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride is Cl.[2H]C([2H])([2H])N(CCc1ccc(O)cc1)C([2H])([2H])[2H].
What is the InChIKey of 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride?
The InChIKey is KIZRJFIRFPIRFS-TXHXQZCNSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H/i1D3,2D3;.
What are the key properties of 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride?
4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride has a molecular weight of 207.73 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride is sourced from PubChem (CID 131708485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).