4-[3-(2-methylpentylamino)butyl]phenol

C16H27NO — CID 43746652

IUPAC4-[3-(2-methylpentylamino)butyl]phenol
SMILESCCCC(C)CNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H27NO/c1-4-5-13(2)12-17-14(3)6-7-15-8-10-16(18)11-9-15/h8-11,13-14,17-18H,4-7,12H2,1-3H3
InChIKeySSRYMHGJQLFHRA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.74
Rot. Bonds8

About 4-[3-(2-methylpentylamino)butyl]phenol

4-[3-(2-methylpentylamino)butyl]phenol (PubChem CID 43746652) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[3-(2-methylpentylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(2-methylpentylamino)butyl]phenol
PubChem CID43746652
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[3-(2-methylpentylamino)butyl]phenol
SMILESCCCC(C)CNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H27NO/c1-4-5-13(2)12-17-14(3)6-7-15-8-10-16(18)11-9-15/h8-11,13-14,17-18H,4-7,12H2,1-3H3
InChIKeySSRYMHGJQLFHRA-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethyloctyl)phenol
CID 174906830
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol
CID 104861989
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
3-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanenitrile
CID 62646914
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
4-[3-(2-methylsulfinylpropylamino)butyl]phenol
CID 113470908
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-(3-propoxypropylamino)butyl]phenol
CID 82941031
4-(3-methylpentyl)phenol
CID 57225129

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpentylamino)butyl]phenol?
The IUPAC name of 4-[3-(2-methylpentylamino)butyl]phenol (CID 43746652) is 4-[3-(2-methylpentylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(2-methylpentylamino)butyl]phenol?
The canonical SMILES for 4-[3-(2-methylpentylamino)butyl]phenol is CCCC(C)CNC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(2-methylpentylamino)butyl]phenol?
The InChIKey is SSRYMHGJQLFHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-5-13(2)12-17-14(3)6-7-15-8-10-16(18)11-9-15/h8-11,13-14,17-18H,4-7,12H2,1-3H3.
What are the key properties of 4-[3-(2-methylpentylamino)butyl]phenol?
4-[3-(2-methylpentylamino)butyl]phenol has a molecular weight of 249.40 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpentylamino)butyl]phenol is sourced from PubChem (CID 43746652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).