4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol

C18H23NO2 — CID 66092508

IUPAC4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
SMILESCC(CCO)CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-14(11-12-20)13-19-18(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-10,14,18-21H,11-13H2,1H3
InChIKeyLSRKMKYYCPIWEX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.09
Rot. Bonds7

About 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol

4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol (PubChem CID 66092508) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
PubChem CID66092508
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
SMILESCC(CCO)CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-14(11-12-20)13-19-18(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-10,14,18-21H,11-13H2,1H3
InChIKeyLSRKMKYYCPIWEX-UHFFFAOYSA-N
XLogP3.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylbutylamino)-phenylmethyl]phenol
CID 62693261
4-[(2-hydroxypentylamino)-phenylmethyl]phenol
CID 115971945
3-methyl-4-(1-phenylhexylamino)butan-1-ol
CID 66091324
3-methyl-4-(1-phenylpropan-2-ylamino)butan-1-ol
CID 66090361
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
N-benzhydryl-2-bromopropan-1-amine
CID 57148463
4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 65108426
2-[1-[(4-hydroxy-2-methylbutyl)amino]ethyl]benzene-1,4-diol
CID 66090624
4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol
CID 103949202
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
3-methylbutan-1-ol;phenol;ytterbium
CID 139987500
4-[1-(3,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 81343196

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol?
The IUPAC name of 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol (CID 66092508) is 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol.
What is the SMILES notation for 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol?
The canonical SMILES for 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol is CC(CCO)CNC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol?
The InChIKey is LSRKMKYYCPIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(11-12-20)13-19-18(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-10,14,18-21H,11-13H2,1H3.
What are the key properties of 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol?
4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol is sourced from PubChem (CID 66092508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).