4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol

C13H21NO — CID 115113566

IUPAC4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol
SMILESCc1cc(O)c(C)c(C)c1C(C)CCN
InChIInChI=1S/C13H21NO/c1-8(5-6-14)13-9(2)7-12(15)10(3)11(13)4/h7-8,15H,5-6,14H2,1-4H3
InChIKeyOIDPOBALTZINBW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds3

About 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol

4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol (PubChem CID 115113566) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol.

Molecular Properties

Compound Name4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol
PubChem CID115113566
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol
SMILESCc1cc(O)c(C)c(C)c1C(C)CCN
InChIInChI=1S/C13H21NO/c1-8(5-6-14)13-9(2)7-12(15)10(3)11(13)4/h7-8,15H,5-6,14H2,1-4H3
InChIKeyOIDPOBALTZINBW-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-4,6-dimethylphenyl)butan-1-amine
CID 84805272
2-(5-aminopentan-2-yl)-3-methylphenol
CID 83923785
4-(2-aminopropyl)-2,3,5-trimethylphenol
CID 117111308
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
4-[(1S)-1,4-diaminobutyl]-3,5-dimethylphenol;hydrochloride
CID 171218216
3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
CID 84773685
3-(5,6-dimethyl-1,3-benzodioxol-4-yl)butan-1-amine
CID 117316752
4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol
CID 84790339
3-amino-1-(4-hydroxy-2,3,6-trimethylphenyl)propan-1-one
CID 115113441
3-(2-bromo-6-methoxy-4-methylphenyl)butan-1-amine
CID 84809713
5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
CID 83939473
5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile
CID 84771517

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol?
The IUPAC name of 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol (CID 115113566) is 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol.
What is the SMILES notation for 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol?
The canonical SMILES for 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol is Cc1cc(O)c(C)c(C)c1C(C)CCN.
What is the InChIKey of 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol?
The InChIKey is OIDPOBALTZINBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8(5-6-14)13-9(2)7-12(15)10(3)11(13)4/h7-8,15H,5-6,14H2,1-4H3.
What are the key properties of 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol?
4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol has a molecular weight of 207.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-yl)-2,3,5-trimethylphenol is sourced from PubChem (CID 115113566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).