2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol

C17H29NO2 — CID 64809345

IUPAC2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol
SMILESCc1cc(C)c(OCCC(C)(CO)NC(C)C)c(C)c1
InChIInChI=1S/C17H29NO2/c1-12(2)18-17(6,11-19)7-8-20-16-14(4)9-13(3)10-15(16)5/h9-10,12,18-19H,7-8,11H2,1-6H3
InChIKeyAWFKFPMGMUQCNB-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.13
Rot. Bonds7

About 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol

2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol (PubChem CID 64809345) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol
PubChem CID64809345
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol
SMILESCc1cc(C)c(OCCC(C)(CO)NC(C)C)c(C)c1
InChIInChI=1S/C17H29NO2/c1-12(2)18-17(6,11-19)7-8-20-16-14(4)9-13(3)10-15(16)5/h9-10,12,18-19H,7-8,11H2,1-6H3
InChIKeyAWFKFPMGMUQCNB-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64805620
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64802248
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805055
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
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64802104
dimethyl (2S,3R)-2,3-bis[2-(2,4,6-trimethylphenoxy)ethyl]butanedioate
CID 59749621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol (CID 64809345) is 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol is Cc1cc(C)c(OCCC(C)(CO)NC(C)C)c(C)c1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol?
The InChIKey is AWFKFPMGMUQCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)18-17(6,11-19)7-8-20-16-14(4)9-13(3)10-15(16)5/h9-10,12,18-19H,7-8,11H2,1-6H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol?
2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol is sourced from PubChem (CID 64809345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).