1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

C14H23NO2 — CID 43188013

IUPAC1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCNCC(O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)14-6-5-13(7-11(14)3)17-9-12(16)8-15-4/h5-7,10,12,15-16H,8-9H2,1-4H3
InChIKeyJZCYLQQLQRQXPX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.08
Rot. Bonds6

About 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 43188013) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
PubChem CID43188013
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCNCC(O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)14-6-5-13(7-11(14)3)17-9-12(16)8-15-4/h5-7,10,12,15-16H,8-9H2,1-4H3
InChIKeyJZCYLQQLQRQXPX-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 3719845
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300592
(2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol
CID 7460208
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 45124676
(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 6952514
(2R)-1-(4-ethylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 2134492
1-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
CID 132585786
1-(azepan-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 2853018
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (CID 43188013) is 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is CNCC(O)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is JZCYLQQLQRQXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)14-6-5-13(7-11(14)3)17-9-12(16)8-15-4/h5-7,10,12,15-16H,8-9H2,1-4H3.
What are the key properties of 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 43188013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).