2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

C17H29NO — CID 117413896

IUPAC2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(CN)c1cc(C(C)(C)CC(C)(C)C)ccc1O
InChIInChI=1S/C17H29NO/c1-12(10-18)14-9-13(7-8-15(14)19)17(5,6)11-16(2,3)4/h7-9,12,19H,10-11,18H2,1-6H3
InChIKeyWYFJHJQVNGXXBX-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.17
Rot. Bonds4

About 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 117413896) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID117413896
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(CN)c1cc(C(C)(C)CC(C)(C)C)ccc1O
InChIInChI=1S/C17H29NO/c1-12(10-18)14-9-13(7-8-15(14)19)17(5,6)11-16(2,3)4/h7-9,12,19H,10-11,18H2,1-6H3
InChIKeyWYFJHJQVNGXXBX-UHFFFAOYSA-N
XLogP4.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117377747
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044
2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117343729
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117318683
2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
CID 117320731
4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
CID 67779766
2-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]disulfanyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159638292
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
3-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 141172794
2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 102323518
2-(1-aminopropan-2-yl)phenol
CID 3028046

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 117413896) is 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(CN)c1cc(C(C)(C)CC(C)(C)C)ccc1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is WYFJHJQVNGXXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(10-18)14-9-13(7-8-15(14)19)17(5,6)11-16(2,3)4/h7-9,12,19H,10-11,18H2,1-6H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 263.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 117413896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).