2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride

C11H18ClNO — CID 69359032

IUPAC2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride
SMILESCC(C)(N)COCc1ccccc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,12)9-13-8-10-6-4-3-5-7-10;/h3-7H,8-9,12H2,1-2H3;1H
InChIKeyDKKRMELBQWVIIX-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.36
Rot. Bonds4

About 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride

2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride (PubChem CID 69359032) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride
PubChem CID69359032
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride
SMILESCC(C)(N)COCc1ccccc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,12)9-13-8-10-6-4-3-5-7-10;/h3-7H,8-9,12H2,1-2H3;1H
InChIKeyDKKRMELBQWVIIX-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride (CID 69359032) is 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride is CC(C)(N)COCc1ccccc1.Cl.
What is the InChIKey of 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride?
The InChIKey is DKKRMELBQWVIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-11(2,12)9-13-8-10-6-4-3-5-7-10;/h3-7H,8-9,12H2,1-2H3;1H.
What are the key properties of 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride?
2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylmethoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 69359032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).