1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride

C17H30ClNO2 — CID 45124676

IUPAC1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCCN(CC)CC(O)COc1ccc(C(C)C)c(C)c1.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-6-18(7-2)11-15(19)12-20-16-8-9-17(13(3)4)14(5)10-16;/h8-10,13,15,19H,6-7,11-12H2,1-5H3;1H
InChIKeyXXIBBQBAZDSVIP-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.62
Rot. Bonds8

About 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride

1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride (PubChem CID 45124676) has the molecular formula C17H30ClNO2 and a molecular weight of 315.89 g/mol. Its IUPAC name is 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
PubChem CID45124676
Molecular FormulaC17H30ClNO2
Molecular Weight315.89 g/mol
Exact Mass315.20
IUPAC Name1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCCN(CC)CC(O)COc1ccc(C(C)C)c(C)c1.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-6-18(7-2)11-15(19)12-20-16-8-9-17(13(3)4)14(5)10-16;/h8-10,13,15,19H,6-7,11-12H2,1-5H3;1H
InChIKeyXXIBBQBAZDSVIP-UHFFFAOYSA-N
XLogP3.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 3719845
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
(2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol
CID 7460208
(2R)-1-(4-ethylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 2134492
(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 6952514
1-(azepan-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 2853018
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride (CID 45124676) is 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride is CCN(CC)CC(O)COc1ccc(C(C)C)c(C)c1.Cl.
What is the InChIKey of 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is XXIBBQBAZDSVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2.ClH/c1-6-18(7-2)11-15(19)12-20-16-8-9-17(13(3)4)14(5)10-16;/h8-10,13,15,19H,6-7,11-12H2,1-5H3;1H.
What are the key properties of 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 45124676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).