3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol

C14H23NO2 — CID 23439773

IUPAC3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
SMILESCC(C)(O)CCCCNCc1cccc(O)c1
InChIInChI=1S/C14H23NO2/c1-14(2,17)8-3-4-9-15-11-12-6-5-7-13(16)10-12/h5-7,10,15-17H,3-4,8-9,11H2,1-2H3
InChIKeyPXDPWTJIFMBVNF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.42
Rot. Bonds7

About 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol

3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol (PubChem CID 23439773) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
PubChem CID23439773
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
SMILESCC(C)(O)CCCCNCc1cccc(O)c1
InChIInChI=1S/C14H23NO2/c1-14(2,17)8-3-4-9-15-11-12-6-5-7-13(16)10-12/h5-7,10,15-17H,3-4,8-9,11H2,1-2H3
InChIKeyPXDPWTJIFMBVNF-UHFFFAOYSA-N
XLogP2.42
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
3-[(4-methylsulfanylbutylamino)methyl]phenol
CID 115639371
3-(propylaminomethyl)phenol
CID 10725714
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]phenol
CID 62316398
4-(benzylamino)-2-methylbutan-2-ol
CID 21242176
3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
3-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306226
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
3-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79352632

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol?
The IUPAC name of 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol (CID 23439773) is 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol is CC(C)(O)CCCCNCc1cccc(O)c1.
What is the InChIKey of 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol?
The InChIKey is PXDPWTJIFMBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,17)8-3-4-9-15-11-12-6-5-7-13(16)10-12/h5-7,10,15-17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol?
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol is sourced from PubChem (CID 23439773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).