1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride

C14H23Cl2NO2 — CID 2770422

IUPAC1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(OCC(O)CNC(C)(C)C)ccc1Cl.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-10-7-12(5-6-13(10)15)18-9-11(17)8-16-14(2,3)4;/h5-7,11,16-17H,8-9H2,1-4H3;1H
InChIKeyKUVLKWHCYAMMDQ-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.20
Rot. Bonds5

About 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride

1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride (PubChem CID 2770422) has the molecular formula C14H23Cl2NO2 and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
PubChem CID2770422
Molecular FormulaC14H23Cl2NO2
Molecular Weight308.25 g/mol
Exact Mass307.11
IUPAC Name1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(OCC(O)CNC(C)(C)C)ccc1Cl.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-10-7-12(5-6-13(10)15)18-9-11(17)8-16-14(2,3)4;/h5-7,11,16-17H,8-9H2,1-4H3;1H
InChIKeyKUVLKWHCYAMMDQ-UHFFFAOYSA-N
XLogP3.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941799
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
tert-butyl-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]azanium
CID 4151647
1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79101456
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
(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-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride (CID 2770422) is 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride is Cc1cc(OCC(O)CNC(C)(C)C)ccc1Cl.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is KUVLKWHCYAMMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2.ClH/c1-10-7-12(5-6-13(10)15)18-9-11(17)8-16-14(2,3)4;/h5-7,11,16-17H,8-9H2,1-4H3;1H.
What are the key properties of 1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 3.20, 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-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2770422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).