1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride

C14H23Cl2NO2 — CID 2882305

IUPAC1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-14(2,3)16-8-13(17)10-18-9-11-4-6-12(15)7-5-11;/h4-7,13,16-17H,8-10H2,1-3H3;1H
InChIKeyPNWHPJIUDCOFIG-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.03
Rot. Bonds6

About 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride

1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride (PubChem CID 2882305) has the molecular formula C14H23Cl2NO2 and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride
PubChem CID2882305
Molecular FormulaC14H23Cl2NO2
Molecular Weight308.25 g/mol
Exact Mass307.11
IUPAC Name1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-14(2,3)16-8-13(17)10-18-9-11-4-6-12(15)7-5-11;/h4-7,13,16-17H,8-10H2,1-3H3;1H
InChIKeyPNWHPJIUDCOFIG-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-Chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 4799605
1-(Benzylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride
CID 16196687
2-Propanol, 1-[(1-methylethyl)amino]-3-(phenylmethoxy)-
CID 551640
1-(Sec-butylamino)-3-((4-chlorobenzyl)oxy)propan-2-ol hydrochloride
CID 2770365
1-[(4-Chlorobenzyl)oxy]-3-[(1-phenylethyl)amino]-2-propanol hydrochloride
CID 2882809
1-[Bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol
CID 4214017
1-[Bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 12006232
1-[(4-Chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol;hydrochloride
CID 16195985
1-((4-Chlorobenzyl)oxy)-3-(piperidin-1-yl)propan-2-ol hydrochloride
CID 2770337
1-[(4-Chlorophenyl)methoxy]-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 4248095
1-[(4-Chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 4801923
1-((4-Chlorobenzyl)oxy)-3-(isopropylamino)propan-2-ol hydrochloride
CID 2770375

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride (CID 2882305) is 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride is CC(C)(C)NCC(O)COCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride?
The InChIKey is PNWHPJIUDCOFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2.ClH/c1-14(2,3)16-8-13(17)10-18-9-11-4-6-12(15)7-5-11;/h4-7,13,16-17H,8-10H2,1-3H3;1H.
What are the key properties of 1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 3.03, 6 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-chlorophenyl)methoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 2882305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).