1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol

C13H21NO2 — CID 116942097

IUPAC1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
SMILESCC(C)Oc1ccc(C(N)C(C)(C)O)cc1
InChIInChI=1S/C13H21NO2/c1-9(2)16-11-7-5-10(6-8-11)12(14)13(3,4)15/h5-9,12,15H,14H2,1-4H3
InChIKeyRSUQZILZNIALKO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.24
Rot. Bonds4

About 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol

1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol (PubChem CID 116942097) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
PubChem CID116942097
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
SMILESCC(C)Oc1ccc(C(N)C(C)(C)O)cc1
InChIInChI=1S/C13H21NO2/c1-9(2)16-11-7-5-10(6-8-11)12(14)13(3,4)15/h5-9,12,15H,14H2,1-4H3
InChIKeyRSUQZILZNIALKO-UHFFFAOYSA-N
XLogP2.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1S)-2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171311850
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
(1R,2S)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171264340
(1S,2R)-1-amino-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-2-ol;hydrochloride
CID 171270016
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
CID 28973362
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116934759
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol (CID 116942097) is 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol is CC(C)Oc1ccc(C(N)C(C)(C)O)cc1.
What is the InChIKey of 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol?
The InChIKey is RSUQZILZNIALKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)16-11-7-5-10(6-8-11)12(14)13(3,4)15/h5-9,12,15H,14H2,1-4H3.
What are the key properties of 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol?
1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol is sourced from PubChem (CID 116942097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).