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

C18H23NO2 — CID 65108426

IUPAC4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
SMILESCCC(C)(O)CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-3-18(2,21)13-19-17(14-7-5-4-6-8-14)15-9-11-16(20)12-10-15/h4-12,17,19-21H,3,13H2,1-2H3
InChIKeyHICGCBXIZPSRIW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.23
Rot. Bonds6

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

4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol (PubChem CID 65108426) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
PubChem CID65108426
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
SMILESCCC(C)(O)CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-3-18(2,21)13-19-17(14-7-5-4-6-8-14)15-9-11-16(20)12-10-15/h4-12,17,19-21H,3,13H2,1-2H3
InChIKeyHICGCBXIZPSRIW-UHFFFAOYSA-N
XLogP3.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 103948401
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
4-[(2-methylbutylamino)-phenylmethyl]phenol
CID 62693261
4-[(2-hydroxypentylamino)-phenylmethyl]phenol
CID 115971945
2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
CID 65108155
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 66092508
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol?
The IUPAC name of 4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol (CID 65108426) is 4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol.
What is the SMILES notation for 4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol?
The canonical SMILES for 4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol is CCC(C)(O)CNC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol?
The InChIKey is HICGCBXIZPSRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-18(2,21)13-19-17(14-7-5-4-6-8-14)15-9-11-16(20)12-10-15/h4-12,17,19-21H,3,13H2,1-2H3.
What are the key properties of 4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol?
4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.23, 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-methylbutyl)amino]-phenylmethyl]phenol is sourced from PubChem (CID 65108426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).