4-[3-(3-methylbutylamino)butyl]phenol

C15H25NO — CID 43193057

IUPAC4-[3-(3-methylbutylamino)butyl]phenol
SMILESCC(C)CCNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-12(2)10-11-16-13(3)4-5-14-6-8-15(17)9-7-14/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyNFGZOIXJBZUVQF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.35
Rot. Bonds7

About 4-[3-(3-methylbutylamino)butyl]phenol

4-[3-(3-methylbutylamino)butyl]phenol (PubChem CID 43193057) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[3-(3-methylbutylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(3-methylbutylamino)butyl]phenol
PubChem CID43193057
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[3-(3-methylbutylamino)butyl]phenol
SMILESCC(C)CCNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C15H25NO/c1-12(2)10-11-16-13(3)4-5-14-6-8-15(17)9-7-14/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyNFGZOIXJBZUVQF-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115324450
4-[2-(3-methylbutylamino)propyl]phenol
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4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
hydron;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;chloride
CID 54759025
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
4-[3-(4-propan-2-yloxybutylamino)butyl]phenol
CID 104862569
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
4-[3-(3-propoxypropylamino)butyl]phenol
CID 82941031
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
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4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylbutylamino)butyl]phenol?
The IUPAC name of 4-[3-(3-methylbutylamino)butyl]phenol (CID 43193057) is 4-[3-(3-methylbutylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(3-methylbutylamino)butyl]phenol?
The canonical SMILES for 4-[3-(3-methylbutylamino)butyl]phenol is CC(C)CCNC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(3-methylbutylamino)butyl]phenol?
The InChIKey is NFGZOIXJBZUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)10-11-16-13(3)4-5-14-6-8-15(17)9-7-14/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of 4-[3-(3-methylbutylamino)butyl]phenol?
4-[3-(3-methylbutylamino)butyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylbutylamino)butyl]phenol is sourced from PubChem (CID 43193057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).