4-(3-aminopropyl)-2,6-ditert-butylphenol

C17H29NO — CID 10659224

IUPAC4-(3-aminopropyl)-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(CCCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H29NO/c1-16(2,3)13-10-12(8-7-9-18)11-14(15(13)19)17(4,5)6/h10-11,19H,7-9,18H2,1-6H3
InChIKeyLUWJFAGOLNUTBA-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.88
Rot. Bonds3

About 4-(3-aminopropyl)-2,6-ditert-butylphenol

4-(3-aminopropyl)-2,6-ditert-butylphenol (PubChem CID 10659224) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-(3-aminopropyl)-2,6-ditert-butylphenol
PubChem CID10659224
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-(3-aminopropyl)-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(CCCN)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H29NO/c1-16(2,3)13-10-12(8-7-9-18)11-14(15(13)19)17(4,5)6/h10-11,19H,7-9,18H2,1-6H3
InChIKeyLUWJFAGOLNUTBA-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2,6-ditert-butylphenol?
The IUPAC name of 4-(3-aminopropyl)-2,6-ditert-butylphenol (CID 10659224) is 4-(3-aminopropyl)-2,6-ditert-butylphenol.
What is the SMILES notation for 4-(3-aminopropyl)-2,6-ditert-butylphenol?
The canonical SMILES for 4-(3-aminopropyl)-2,6-ditert-butylphenol is CC(C)(C)c1cc(CCCN)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-(3-aminopropyl)-2,6-ditert-butylphenol?
The InChIKey is LUWJFAGOLNUTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2,3)13-10-12(8-7-9-18)11-14(15(13)19)17(4,5)6/h10-11,19H,7-9,18H2,1-6H3.
What are the key properties of 4-(3-aminopropyl)-2,6-ditert-butylphenol?
4-(3-aminopropyl)-2,6-ditert-butylphenol has a molecular weight of 263.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2,6-ditert-butylphenol is sourced from PubChem (CID 10659224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).