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

C15H25NO2 — CID 64803067

IUPAC2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
SMILESCNC(C)(CO)CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)13-5-7-14(8-6-13)18-10-9-15(3,11-17)16-4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyNNKXRPHEXXSUKP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.55
Rot. Bonds7

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

2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol (PubChem CID 64803067) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
PubChem CID64803067
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
SMILESCNC(C)(CO)CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)13-5-7-14(8-6-13)18-10-9-15(3,11-17)16-4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyNNKXRPHEXXSUKP-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.55
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
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64802679
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 64804948
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688
2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804791
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
1-[4-[2-methyl-4-(4-propan-2-ylphenoxy)butan-2-yl]phenyl]-3-phenylurea
CID 142994070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol (CID 64803067) is 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol is CNC(C)(CO)CCOc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol?
The InChIKey is NNKXRPHEXXSUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)13-5-7-14(8-6-13)18-10-9-15(3,11-17)16-4/h5-8,12,16-17H,9-11H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol?
2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol is sourced from PubChem (CID 64803067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).