2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol

C14H23NO2 — CID 61240308

IUPAC2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol
SMILESCC(C)CC(CO)NC(C)c1ccccc1O
InChIInChI=1S/C14H23NO2/c1-10(2)8-12(9-16)15-11(3)13-6-4-5-7-14(13)17/h4-7,10-12,15-17H,8-9H2,1-3H3
InChIKeyLMHYWINLSCFBQN-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.45
Rot. Bonds6

About 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol

2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol (PubChem CID 61240308) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol
PubChem CID61240308
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol
SMILESCC(C)CC(CO)NC(C)c1ccccc1O
InChIInChI=1S/C14H23NO2/c1-10(2)8-12(9-16)15-11(3)13-6-4-5-7-14(13)17/h4-7,10-12,15-17H,8-9H2,1-3H3
InChIKeyLMHYWINLSCFBQN-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]propane-1,3-diol
CID 96979742
4-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]benzene-1,3-diol
CID 61245954
2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
CID 28511998
2-[1-(2-hydroxyphenyl)ethylamino]propanoic acid
CID 61499506
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[1-(2-hydroxyphenyl)ethylamino]hexanal
CID 25224466
4-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]ethyl]benzene-1,3-diol
CID 63260759
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
2-[1-(4-methylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43371912
2-[1-(2,3-dimethylphenyl)ethylamino]propane-1,3-diol
CID 115724144

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol (CID 61240308) is 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol is CC(C)CC(CO)NC(C)c1ccccc1O.
What is the InChIKey of 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol?
The InChIKey is LMHYWINLSCFBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)8-12(9-16)15-11(3)13-6-4-5-7-14(13)17/h4-7,10-12,15-17H,8-9H2,1-3H3.
What are the key properties of 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol?
2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 61240308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).