4-[3-(2-methylbutan-2-ylamino)butyl]phenol

C15H25NO — CID 43824453

IUPAC4-[3-(2-methylbutan-2-ylamino)butyl]phenol
SMILESCCC(C)(C)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-5-15(3,4)16-12(2)6-7-13-8-10-14(17)11-9-13/h8-12,16-17H,5-7H2,1-4H3
InChIKeyZGESTUWZWUCSNW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.49
Rot. Bonds6

About 4-[3-(2-methylbutan-2-ylamino)butyl]phenol

4-[3-(2-methylbutan-2-ylamino)butyl]phenol (PubChem CID 43824453) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[3-(2-methylbutan-2-ylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(2-methylbutan-2-ylamino)butyl]phenol
PubChem CID43824453
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[3-(2-methylbutan-2-ylamino)butyl]phenol
SMILESCCC(C)(C)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-5-15(3,4)16-12(2)6-7-13-8-10-14(17)11-9-13/h8-12,16-17H,5-7H2,1-4H3
InChIKeyZGESTUWZWUCSNW-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
CID 61212956
methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate
CID 43726104
4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
CID 102673404
4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
CID 82981079
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
4-(3-methylpentyl)phenol
CID 57225129
4-(3,5-dimethyloctyl)phenol
CID 174906830

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylbutan-2-ylamino)butyl]phenol?
The IUPAC name of 4-[3-(2-methylbutan-2-ylamino)butyl]phenol (CID 43824453) is 4-[3-(2-methylbutan-2-ylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(2-methylbutan-2-ylamino)butyl]phenol?
The canonical SMILES for 4-[3-(2-methylbutan-2-ylamino)butyl]phenol is CCC(C)(C)NC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(2-methylbutan-2-ylamino)butyl]phenol?
The InChIKey is ZGESTUWZWUCSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(3,4)16-12(2)6-7-13-8-10-14(17)11-9-13/h8-12,16-17H,5-7H2,1-4H3.
What are the key properties of 4-[3-(2-methylbutan-2-ylamino)butyl]phenol?
4-[3-(2-methylbutan-2-ylamino)butyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylbutan-2-ylamino)butyl]phenol is sourced from PubChem (CID 43824453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).