4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol

C18H23NO — CID 82540513

IUPAC4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
SMILESCNC(Cc1ccc(-c2ccc(O)cc2)cc1)C(C)C
InChIInChI=1S/C18H23NO/c1-13(2)18(19-3)12-14-4-6-15(7-5-14)16-8-10-17(20)11-9-16/h4-11,13,18-20H,12H2,1-3H3
InChIKeyCCAPBZDWEQXYFW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.85
Rot. Bonds5

About 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol

4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol (PubChem CID 82540513) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
PubChem CID82540513
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
SMILESCNC(Cc1ccc(-c2ccc(O)cc2)cc1)C(C)C
InChIInChI=1S/C18H23NO/c1-13(2)18(19-3)12-14-4-6-15(7-5-14)16-8-10-17(20)11-9-16/h4-11,13,18-20H,12H2,1-3H3
InChIKeyCCAPBZDWEQXYFW-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540465
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540477
4-[2-hydroxy-2-(methylamino)ethyl]phenol
CID 90457201
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[4-[2-(2-aminoethyl)-3-methylbutyl]phenyl]phenol
CID 82542817
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride
CID 135326536
N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide
CID 63202313
N,4-dimethyl-1-(4-phenylphenyl)pentan-3-amine
CID 65455710
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol?
The IUPAC name of 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol (CID 82540513) is 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol?
The canonical SMILES for 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol is CNC(Cc1ccc(-c2ccc(O)cc2)cc1)C(C)C.
What is the InChIKey of 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol?
The InChIKey is CCAPBZDWEQXYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)18(19-3)12-14-4-6-15(7-5-14)16-8-10-17(20)11-9-16/h4-11,13,18-20H,12H2,1-3H3.
What are the key properties of 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol?
4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol is sourced from PubChem (CID 82540513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).