4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol

C18H23NO2 — CID 61046174

IUPAC4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
SMILESCC(CO)(CCc1ccc(O)cc1)NCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-18(14-20,19-13-16-5-3-2-4-6-16)12-11-15-7-9-17(21)10-8-15/h2-10,19-21H,11-14H2,1H3
InChIKeyHEWQIVCLPYKCMX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.87
Rot. Bonds7

About 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol

4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol (PubChem CID 61046174) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol.

Molecular Properties

Compound Name4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
PubChem CID61046174
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
SMILESCC(CO)(CCc1ccc(O)cc1)NCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-18(14-20,19-13-16-5-3-2-4-6-16)12-11-15-7-9-17(21)10-8-15/h2-10,19-21H,11-14H2,1H3
InChIKeyHEWQIVCLPYKCMX-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol
CID 61055515
[(2R)-1-hydroxy-4-(4-hydroxyphenyl)-2-methylbutan-2-yl]carbamic acid
CID 68992190
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
2-anilino-4-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 61047503
2-(4-methoxyanilino)-2-methyl-4-phenylbutan-1-ol
CID 61045480
2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butan-1-ol
CID 65486202
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
3-methyl-5-phenyl-3-(propylamino)pentan-1-ol
CID 65234500
4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
CID 61056815
4-(3,3-dimethoxy-3-phenylpropyl)phenol
CID 175486345
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol?
The IUPAC name of 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol (CID 61046174) is 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol.
What is the SMILES notation for 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol?
The canonical SMILES for 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol is CC(CO)(CCc1ccc(O)cc1)NCc1ccccc1.
What is the InChIKey of 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol?
The InChIKey is HEWQIVCLPYKCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(14-20,19-13-16-5-3-2-4-6-16)12-11-15-7-9-17(21)10-8-15/h2-10,19-21H,11-14H2,1H3.
What are the key properties of 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol?
4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol is sourced from PubChem (CID 61046174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).