4-[3-(2,2,3-trimethylbutylamino)butyl]phenol

C17H29NO — CID 102673404

IUPAC4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCC(C)(C)C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)17(4,5)12-18-14(3)6-7-15-8-10-16(19)11-9-15/h8-11,13-14,18-19H,6-7,12H2,1-5H3
InChIKeyMIPOEJXNSNPUOQ-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.99
Rot. Bonds7

About 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol

4-[3-(2,2,3-trimethylbutylamino)butyl]phenol (PubChem CID 102673404) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
PubChem CID102673404
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCC(C)(C)C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)17(4,5)12-18-14(3)6-7-15-8-10-16(19)11-9-15/h8-11,13-14,18-19H,6-7,12H2,1-5H3
InChIKeyMIPOEJXNSNPUOQ-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(2-methylbutan-2-ylamino)butyl]phenol
CID 43824453
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol?
The IUPAC name of 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol (CID 102673404) is 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol?
The canonical SMILES for 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NCC(C)(C)C(C)C.
What is the InChIKey of 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol?
The InChIKey is MIPOEJXNSNPUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)17(4,5)12-18-14(3)6-7-15-8-10-16(19)11-9-15/h8-11,13-14,18-19H,6-7,12H2,1-5H3.
What are the key properties of 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol?
4-[3-(2,2,3-trimethylbutylamino)butyl]phenol has a molecular weight of 263.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,3-trimethylbutylamino)butyl]phenol is sourced from PubChem (CID 102673404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).