4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene

C21H23NO — CID 143014115

IUPAC4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
SMILESCNc1ccc(O)cc1.Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14.C7H9NO/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-6-2-4-7(9)5-3-6/h3-10H,1-2H3;2-5,8-9H,1H3
InChIKeyQCNYDNWAULSVOT-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.40
Rot. Bonds2

About 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene

4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene (PubChem CID 143014115) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
PubChem CID143014115
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
SMILESCNc1ccc(O)cc1.Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14.C7H9NO/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-6-2-4-7(9)5-3-6/h3-10H,1-2H3;2-5,8-9H,1H3
InChIKeyQCNYDNWAULSVOT-UHFFFAOYSA-N
XLogP5.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(4-methylphenyl)phenol
CID 161379556
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
4-methylphenol
CID 70549076
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
N-methyl-4-(6-methylnaphthalen-2-yl)aniline
CID 116962530
chromium;bis(4-methylphenol);chloride
CID 172752271
4-amino-3-methylphenol;4-(methylamino)phenol
CID 69014448
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene?
The IUPAC name of 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene (CID 143014115) is 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene.
What is the SMILES notation for 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene?
The canonical SMILES for 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene is CNc1ccc(O)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene?
The InChIKey is QCNYDNWAULSVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C7H9NO/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-6-2-4-7(9)5-3-6/h3-10H,1-2H3;2-5,8-9H,1H3.
What are the key properties of 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene?
4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene has a molecular weight of 305.42 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene is sourced from PubChem (CID 143014115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).