1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol

C13H21NO2 — CID 64821908

IUPAC1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol
SMILESCc1cc(C)c(OCCC(O)CN)c(C)c1
InChIInChI=1S/C13H21NO2/c1-9-6-10(2)13(11(3)7-9)16-5-4-12(15)8-14/h6-7,12,15H,4-5,8,14H2,1-3H3
InChIKeyRBOVEEASUYIDQN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.70
Rot. Bonds5

About 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol

1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol (PubChem CID 64821908) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol
PubChem CID64821908
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol
SMILESCc1cc(C)c(OCCC(O)CN)c(C)c1
InChIInChI=1S/C13H21NO2/c1-9-6-10(2)13(11(3)7-9)16-5-4-12(15)8-14/h6-7,12,15H,4-5,8,14H2,1-3H3
InChIKeyRBOVEEASUYIDQN-UHFFFAOYSA-N
XLogP1.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
dimethyl (2S,3R)-2,3-bis[2-(2,4,6-trimethylphenoxy)ethyl]butanedioate
CID 59749621
ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate
CID 63039988
1-amino-4-(2,3,4,5,6-pentafluorophenoxy)butan-2-ol
CID 64814642
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
CID 112508033
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
1-amino-3-(2,4-dimethyl-6-nitrophenoxy)propan-2-ol
CID 59762030
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
2-phenyl-4-(2,4,6-trimethylphenoxy)butanoic acid
CID 82136541
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol?
The IUPAC name of 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol (CID 64821908) is 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol.
What is the SMILES notation for 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol?
The canonical SMILES for 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol is Cc1cc(C)c(OCCC(O)CN)c(C)c1.
What is the InChIKey of 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol?
The InChIKey is RBOVEEASUYIDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-6-10(2)13(11(3)7-9)16-5-4-12(15)8-14/h6-7,12,15H,4-5,8,14H2,1-3H3.
What are the key properties of 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol?
1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol is sourced from PubChem (CID 64821908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).