4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol

C17H21NO2 — CID 62617440

IUPAC4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
SMILESCc1ccc(C(O)CCN(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-13-3-5-14(6-4-13)17(20)11-12-18(2)15-7-9-16(19)10-8-15/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyRNGYZMZVSHLWPV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.26
Rot. Bonds5

About 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol

4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol (PubChem CID 62617440) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
PubChem CID62617440
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
SMILESCc1ccc(C(O)CCN(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-13-3-5-14(6-4-13)17(20)11-12-18(2)15-7-9-16(19)10-8-15/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyRNGYZMZVSHLWPV-UHFFFAOYSA-N
XLogP3.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol
CID 114066804
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
4-methylphenol;propan-2-ylphosphane
CID 144779899

Frequently Asked Questions

What is the IUPAC name of 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol?
The IUPAC name of 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol (CID 62617440) is 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol.
What is the SMILES notation for 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol?
The canonical SMILES for 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol is Cc1ccc(C(O)CCN(C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol?
The InChIKey is RNGYZMZVSHLWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-3-5-14(6-4-13)17(20)11-12-18(2)15-7-9-16(19)10-8-15/h3-10,17,19-20H,11-12H2,1-2H3.
What are the key properties of 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol?
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol is sourced from PubChem (CID 62617440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).