2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol

C14H23NO2 — CID 64802104

IUPAC2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCc1ccccc1OCC(C)(CO)NC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)15-14(4,9-16)10-17-13-8-6-5-7-12(13)3/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyUONBEFVOLSCJDL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.12
Rot. Bonds6

About 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64802104) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64802104
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCc1ccccc1OCC(C)(CO)NC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)15-14(4,9-16)10-17-13-8-6-5-7-12(13)3/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyUONBEFVOLSCJDL-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805055
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
2-(ethylamino)-2-methyl-4-(2-methylphenoxy)butan-1-ol
CID 64803345
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
N,2-dimethyl-1-(2-methylphenoxy)propan-2-amine
CID 82125739
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809090
[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-[[2-methyl-1-(2-methylphenoxy)propan-2-yl]amino]methanol
CID 152937491
2,2-dimethyl-3-(2-methylphenoxy)propanethioamide
CID 82080504
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64805620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol (CID 64802104) is 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol is Cc1ccccc1OCC(C)(CO)NC(C)C.
What is the InChIKey of 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is UONBEFVOLSCJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)15-14(4,9-16)10-17-13-8-6-5-7-12(13)3/h5-8,11,15-16H,9-10H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64802104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).