2-[hexan-2-yl(propyl)amino]phenol

C15H25NO — CID 54465777

IUPAC2-[hexan-2-yl(propyl)amino]phenol
SMILESCCCCC(C)N(CCC)c1ccccc1O
InChIInChI=1S/C15H25NO/c1-4-6-9-13(3)16(12-5-2)14-10-7-8-11-15(14)17/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3
InChIKeyXESZJNDWJXTZIH-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.19
Rot. Bonds7

About 2-[hexan-2-yl(propyl)amino]phenol

2-[hexan-2-yl(propyl)amino]phenol (PubChem CID 54465777) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[hexan-2-yl(propyl)amino]phenol.

Molecular Properties

Compound Name2-[hexan-2-yl(propyl)amino]phenol
PubChem CID54465777
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[hexan-2-yl(propyl)amino]phenol
SMILESCCCCC(C)N(CCC)c1ccccc1O
InChIInChI=1S/C15H25NO/c1-4-6-9-13(3)16(12-5-2)14-10-7-8-11-15(14)17/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3
InChIKeyXESZJNDWJXTZIH-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-2-yl-N-propylaniline
CID 54357467
2-(dioctadecylamino)phenol
CID 67178725
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
benzene-1,2-diol;tetrabutylphosphanium;hydroxide
CID 68855891
2-[amino(hexyl)amino]phenol
CID 175507997
(2-hydroxyphenyl)-(2-methylundecan-3-yl)cyanamide
CID 138599121
2-(2-methyl-N-propylanilino)phenol
CID 12677144
2-(1-phenylpentyl)phenol
CID 19601156
2-(2-methylhexyl)phenol
CID 70468814
(1S)-1-phenylpentan-1-ol
CID 6992754
2-[[2-(dipropylamino)phenyl]methyl]phenol
CID 174733371
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689

Frequently Asked Questions

What is the IUPAC name of 2-[hexan-2-yl(propyl)amino]phenol?
The IUPAC name of 2-[hexan-2-yl(propyl)amino]phenol (CID 54465777) is 2-[hexan-2-yl(propyl)amino]phenol.
What is the SMILES notation for 2-[hexan-2-yl(propyl)amino]phenol?
The canonical SMILES for 2-[hexan-2-yl(propyl)amino]phenol is CCCCC(C)N(CCC)c1ccccc1O.
What is the InChIKey of 2-[hexan-2-yl(propyl)amino]phenol?
The InChIKey is XESZJNDWJXTZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-9-13(3)16(12-5-2)14-10-7-8-11-15(14)17/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3.
What are the key properties of 2-[hexan-2-yl(propyl)amino]phenol?
2-[hexan-2-yl(propyl)amino]phenol has a molecular weight of 235.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexan-2-yl(propyl)amino]phenol is sourced from PubChem (CID 54465777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).