1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol

C14H22ClNO2 — CID 60635656

IUPAC1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNCC(C)C)ccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-10(2)7-16-8-12(17)9-18-13-4-5-14(15)11(3)6-13/h4-6,10,12,16-17H,7-9H2,1-3H3
InChIKeySOKWZKCIOBEATB-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.63
Rot. Bonds7

About 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol

1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 60635656) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID60635656
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNCC(C)C)ccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-10(2)7-16-8-12(17)9-18-13-4-5-14(15)11(3)6-13/h4-6,10,12,16-17H,7-9H2,1-3H3
InChIKeySOKWZKCIOBEATB-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol with MolForge

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Related Compounds

1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585716
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
1-(4-chloro-3-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639947
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-chloro-3-methylphenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 60633816
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
1-(4-chloro-3-methylphenoxy)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 62523170
1-(4-chloro-3-methylphenoxy)-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 63966916
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 60635656) is 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol is Cc1cc(OCC(O)CNCC(C)C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is SOKWZKCIOBEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10(2)7-16-8-12(17)9-18-13-4-5-14(15)11(3)6-13/h4-6,10,12,16-17H,7-9H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 60635656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).