2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride

C13H22ClNO2 — CID 66938068

IUPAC2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride
SMILESCc1ccc(OCCNC(C)(C)CO)cc1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-11-4-6-12(7-5-11)16-9-8-14-13(2,3)10-15;/h4-7,14-15H,8-10H2,1-3H3;1H
InChIKeySTPIKEBKGHJFTB-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.16
Rot. Bonds6

About 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride

2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride (PubChem CID 66938068) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride
PubChem CID66938068
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride
SMILESCc1ccc(OCCNC(C)(C)CO)cc1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-11-4-6-12(7-5-11)16-9-8-14-13(2,3)10-15;/h4-7,14-15H,8-10H2,1-3H3;1H
InChIKeySTPIKEBKGHJFTB-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881485
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
4-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]ethoxy]benzoic acid
CID 103261463
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
1-[3-(4-methylphenoxy)propyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108881373
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 82109933
2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54798215

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride?
The IUPAC name of 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride (CID 66938068) is 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride?
The canonical SMILES for 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride is Cc1ccc(OCCNC(C)(C)CO)cc1.Cl.
What is the InChIKey of 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride?
The InChIKey is STPIKEBKGHJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-11-4-6-12(7-5-11)16-9-8-14-13(2,3)10-15;/h4-7,14-15H,8-10H2,1-3H3;1H.
What are the key properties of 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride?
2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(4-methylphenoxy)ethylamino]propan-1-ol;hydrochloride is sourced from PubChem (CID 66938068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).