1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol

C14H23NO — CID 83941469

IUPAC1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol
SMILESCc1cc(C)c(C)c(CCC(O)CN)c1C
InChIInChI=1S/C14H23NO/c1-9-7-10(2)12(4)14(11(9)3)6-5-13(16)8-15/h7,13,16H,5-6,8,15H2,1-4H3
InChIKeyWUCIFIHNOUGVBR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.17
Rot. Bonds4

About 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol

1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol (PubChem CID 83941469) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol
PubChem CID83941469
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol
SMILESCc1cc(C)c(C)c(CCC(O)CN)c1C
InChIInChI=1S/C14H23NO/c1-9-7-10(2)12(4)14(11(9)3)6-5-13(16)8-15/h7,13,16H,5-6,8,15H2,1-4H3
InChIKeyWUCIFIHNOUGVBR-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol (CID 83941469) is 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol is Cc1cc(C)c(C)c(CCC(O)CN)c1C.
What is the InChIKey of 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol?
The InChIKey is WUCIFIHNOUGVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-7-10(2)12(4)14(11(9)3)6-5-13(16)8-15/h7,13,16H,5-6,8,15H2,1-4H3.
What are the key properties of 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol?
1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol is sourced from PubChem (CID 83941469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).