4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol

C14H23NO2 — CID 139924478

IUPAC4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol
SMILESCCCC(NCc1ccc(O)cc1)C(C)(C)O
InChIInChI=1S/C14H23NO2/c1-4-5-13(14(2,3)17)15-10-11-6-8-12(16)9-7-11/h6-9,13,15-17H,4-5,10H2,1-3H3
InChIKeyGUERLFGPKZKODY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.42
Rot. Bonds6

About 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol

4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol (PubChem CID 139924478) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol
PubChem CID139924478
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol
SMILESCCCC(NCc1ccc(O)cc1)C(C)(C)O
InChIInChI=1S/C14H23NO2/c1-4-5-13(14(2,3)17)15-10-11-6-8-12(16)9-7-11/h6-9,13,15-17H,4-5,10H2,1-3H3
InChIKeyGUERLFGPKZKODY-UHFFFAOYSA-N
XLogP2.42
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol
CID 115715682
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[(1-phenylhexylamino)methyl]phenol
CID 115715711
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 115978599
1-chloro-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentan-3-amine
CID 106354049
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
4-(3,5-dimethyloctyl)phenol
CID 174906830
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol (CID 139924478) is 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol is CCCC(NCc1ccc(O)cc1)C(C)(C)O.
What is the InChIKey of 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol?
The InChIKey is GUERLFGPKZKODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-13(14(2,3)17)15-10-11-6-8-12(16)9-7-11/h6-9,13,15-17H,4-5,10H2,1-3H3.
What are the key properties of 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol?
4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2-methylhexan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 139924478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).