2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol

C14H23NO2 — CID 64805055

IUPAC2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCc1ccc(OCC(C)(CO)NC(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-11(2)15-14(4,9-16)10-17-13-7-5-12(3)6-8-13/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyHSXXDUDUIJVLJP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.12
Rot. Bonds6

About 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64805055) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64805055
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCc1ccc(OCC(C)(CO)NC(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-11(2)15-14(4,9-16)10-17-13-7-5-12(3)6-8-13/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyHSXXDUDUIJVLJP-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-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
3-(4-tert-butylphenoxy)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802269
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790514
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)pentan-1-ol
CID 64804028
2-[(4-methylphenoxy)methyl]butane-1,2,4-triol
CID 91370116
2,2-dimethyl-3-(4-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79627194
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
CID 68643436
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol (CID 64805055) is 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol is Cc1ccc(OCC(C)(CO)NC(C)C)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is HSXXDUDUIJVLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)15-14(4,9-16)10-17-13-7-5-12(3)6-8-13/h5-8,11,15-16H,9-10H2,1-4H3.
What are the key properties of 2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-(4-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-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64805055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).