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

C17H20ClNO2 — CID 60901313

IUPAC1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
SMILESCc1cc(OCC(O)CNc2ccccc2C)ccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-12-5-3-4-6-17(12)19-10-14(20)11-21-15-7-8-16(18)13(2)9-15/h3-9,14,19-20H,10-11H2,1-2H3
InChIKeyQRTQXUXHUBYDOD-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.81
Rot. Bonds6

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

1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol (PubChem CID 60901313) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
PubChem CID60901313
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
SMILESCc1cc(OCC(O)CNc2ccccc2C)ccc1Cl
InChIInChI=1S/C17H20ClNO2/c1-12-5-3-4-6-17(12)19-10-14(20)11-21-15-7-8-16(18)13(2)9-15/h3-9,14,19-20H,10-11H2,1-2H3
InChIKeyQRTQXUXHUBYDOD-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79101456
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671
(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-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941799
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol (CID 60901313) is 1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol is Cc1cc(OCC(O)CNc2ccccc2C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol?
The InChIKey is QRTQXUXHUBYDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12-5-3-4-6-17(12)19-10-14(20)11-21-15-7-8-16(18)13(2)9-15/h3-9,14,19-20H,10-11H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol has a molecular weight of 305.81 g/mol, XLogP of 3.81, 6 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-methylanilino)propan-2-ol is sourced from PubChem (CID 60901313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).