1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol

C14H22ClNO2 — CID 2475

IUPAC1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
InChIInChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
InChIKeyHQIRNZOQPUAHHV-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.78
Rot. Bonds5

About 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol

1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol (PubChem CID 2475) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
PubChem CID2475
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
SMILESCc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
InChIInChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
InChIKeyHQIRNZOQPUAHHV-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Toliprolol
CID 18047
Cloranolol
CID 65814
(2-Hydroxy-3-(m-tolyloxy)propyl)isopropylammonium chloride
CID 120651
(S)-Toliprolol
CID 12179890
1-Amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 3387132
1-(2-Chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 22640863
2-Propanol, 1-(2,5-dichlorophenoxy)-3-((1,1-dimethylethyl)amino)-, hydrochloride (1:1)
CID 162743
1-(Tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 2770422
2-Propanol, 1-(2-chloro-5-methylphenoxy)-3-((1,1-dimethylethyl)amino)-, hydrochloride (1:1)
CID 27072
2-Propanol, 1-(o-chlorophenoxy)-3-isopropylamino-
CID 210928
1-[2-(4-Chlorophenyl)ethylamino]-3-(2,5-dichlorophenoxy)propan-2-ol
CID 4326443
1-[2-(2-Chloro-5-methylphenoxy)ethyl]piperidin-4-ol
CID 39369283

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol (CID 2475) is 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol is Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1.
What is the InChIKey of 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol?
The InChIKey is HQIRNZOQPUAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol?
1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).