2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol

C17H29NO — CID 112510879

IUPAC2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
SMILESCc1cc(C)c(C)c(C(O)CNCCC(C)C)c1C
InChIInChI=1S/C17H29NO/c1-11(2)7-8-18-10-16(19)17-14(5)12(3)9-13(4)15(17)6/h9,11,16,18-19H,7-8,10H2,1-6H3
InChIKeyAOAOTQJBACRCQD-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.59
Rot. Bonds6

About 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol

2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol (PubChem CID 112510879) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
PubChem CID112510879
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
SMILESCc1cc(C)c(C)c(C(O)CNCCC(C)C)c1C
InChIInChI=1S/C17H29NO/c1-11(2)7-8-18-10-16(19)17-14(5)12(3)9-13(4)15(17)6/h9,11,16,18-19H,7-8,10H2,1-6H3
InChIKeyAOAOTQJBACRCQD-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
CID 82315649
1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
CID 82315854
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
4-chloro-1-(2,3,5,6-tetramethylphenyl)butan-1-ol
CID 82117476
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 112510446
3-(2-methylpropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 94274261
1,1-difluoro-3-(3-methylbutylamino)propan-2-ol
CID 103578687
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
N-[2-(3,5-dimethylphenoxy)propyl]-3-methylbutan-1-amine
CID 62571370
3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
CID 82315821

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol?
The IUPAC name of 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol (CID 112510879) is 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol.
What is the SMILES notation for 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol?
The canonical SMILES for 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol is Cc1cc(C)c(C)c(C(O)CNCCC(C)C)c1C.
What is the InChIKey of 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol?
The InChIKey is AOAOTQJBACRCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)7-8-18-10-16(19)17-14(5)12(3)9-13(4)15(17)6/h9,11,16,18-19H,7-8,10H2,1-6H3.
What are the key properties of 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol?
2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol has a molecular weight of 263.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol is sourced from PubChem (CID 112510879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).