1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride

C17H30ClNO2 — CID 2873516

IUPAC1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-16(2,3)14-9-7-8-10-15(14)20-12-13(19)11-18-17(4,5)6;/h7-10,13,18-19H,11-12H2,1-6H3;1H
InChIKeyNUTCZUZGVLIJHJ-UHFFFAOYSA-N
MW315.88 g/mol
LogP3.53
Rot. Bonds5

About 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride

1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride (PubChem CID 2873516) has the molecular formula C17H30ClNO2 and a molecular weight of 315.88 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
PubChem CID2873516
Molecular FormulaC17H30ClNO2
Molecular Weight315.88 g/mol
Exact Mass315.20
IUPAC Name1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COc1ccccc1C(C)(C)C.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-16(2,3)14-9-7-8-10-15(14)20-12-13(19)11-18-17(4,5)6;/h7-10,13,18-19H,11-12H2,1-6H3;1H
InChIKeyNUTCZUZGVLIJHJ-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.88
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2-tert-butylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237866
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
1-(tert-butylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 14689265
1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 21490518
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]ethyl nitrate
CID 13376596
ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride
CID 15566893

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride (CID 2873516) is 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride is CC(C)(C)NCC(O)COc1ccccc1C(C)(C)C.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is NUTCZUZGVLIJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2.ClH/c1-16(2,3)14-9-7-8-10-15(14)20-12-13(19)11-18-17(4,5)6;/h7-10,13,18-19H,11-12H2,1-6H3;1H.
What are the key properties of 1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 315.88 g/mol, XLogP of 3.53, 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-(2-tert-butylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2873516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).