1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol

C16H26ClNO2 — CID 61463569

IUPAC1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
SMILESCCC(C)C(C)NCC(O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H26ClNO2/c1-5-11(2)13(4)18-9-14(19)10-20-15-6-7-16(17)12(3)8-15/h6-8,11,13-14,18-19H,5,9-10H2,1-4H3
InChIKeyRUCIRRUOPBPTQF-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.41
Rot. Bonds8

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

1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol (PubChem CID 61463569) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
PubChem CID61463569
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
SMILESCCC(C)C(C)NCC(O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H26ClNO2/c1-5-11(2)13(4)18-9-14(19)10-20-15-6-7-16(17)12(3)8-15/h6-8,11,13-14,18-19H,5,9-10H2,1-4H3
InChIKeyRUCIRRUOPBPTQF-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
1-(4-chloro-3-methylphenoxy)-3-(hex-1-yn-3-ylamino)propan-2-ol
CID 106229700
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
1-(4-chloro-3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585716
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79101456

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol (CID 61463569) is 1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol is CCC(C)C(C)NCC(O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The InChIKey is RUCIRRUOPBPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-11(2)13(4)18-9-14(19)10-20-15-6-7-16(17)12(3)8-15/h6-8,11,13-14,18-19H,5,9-10H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol has a molecular weight of 299.84 g/mol, XLogP of 3.41, 8 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-(3-methylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 61463569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).