2-[[4-(4-methylphenyl)anilino]methyl]phenol

C20H19NO — CID 122182729

IUPAC2-[[4-(4-methylphenyl)anilino]methyl]phenol
SMILESCc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1
InChIInChI=1S/C20H19NO/c1-15-6-8-16(9-7-15)17-10-12-19(13-11-17)21-14-18-4-2-3-5-20(18)22/h2-13,21-22H,14H2,1H3
InChIKeyROKPZFQOKPVOJG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.98
Rot. Bonds4

About 2-[[4-(4-methylphenyl)anilino]methyl]phenol

2-[[4-(4-methylphenyl)anilino]methyl]phenol (PubChem CID 122182729) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)anilino]methyl]phenol
PubChem CID122182729
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-[[4-(4-methylphenyl)anilino]methyl]phenol
SMILESCc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1
InChIInChI=1S/C20H19NO/c1-15-6-8-16(9-7-15)17-10-12-19(13-11-17)21-14-18-4-2-3-5-20(18)22/h2-13,21-22H,14H2,1H3
InChIKeyROKPZFQOKPVOJG-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3-fluorophenyl)anilino]methyl]phenol
CID 122182740
2-[[4-(2-chlorophenyl)anilino]methyl]phenol
CID 122182748
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
CID 60927719
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride
CID 47023748
2-[(2-methylanilino)methyl]phenol
CID 3240149
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
formaldehyde;bis(4-[(2-hydroxyphenyl)methylamino]benzenesulfonic acid)
CID 175244265

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)anilino]methyl]phenol?
The IUPAC name of 2-[[4-(4-methylphenyl)anilino]methyl]phenol (CID 122182729) is 2-[[4-(4-methylphenyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(4-methylphenyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[4-(4-methylphenyl)anilino]methyl]phenol is Cc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)anilino]methyl]phenol?
The InChIKey is ROKPZFQOKPVOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-15-6-8-16(9-7-15)17-10-12-19(13-11-17)21-14-18-4-2-3-5-20(18)22/h2-13,21-22H,14H2,1H3.
What are the key properties of 2-[[4-(4-methylphenyl)anilino]methyl]phenol?
2-[[4-(4-methylphenyl)anilino]methyl]phenol has a molecular weight of 289.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)anilino]methyl]phenol is sourced from PubChem (CID 122182729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).