4-[(N-benzylanilino)methyl]-2-methoxyphenol

C21H21NO2 — CID 174576798

IUPAC4-[(N-benzylanilino)methyl]-2-methoxyphenol
SMILESCOc1cc(CN(Cc2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C21H21NO2/c1-24-21-14-18(12-13-20(21)23)16-22(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-14,23H,15-16H2,1H3
InChIKeyQXXGHXGAJDFHAW-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.61
Rot. Bonds6

About 4-[(N-benzylanilino)methyl]-2-methoxyphenol

4-[(N-benzylanilino)methyl]-2-methoxyphenol (PubChem CID 174576798) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[(N-benzylanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(N-benzylanilino)methyl]-2-methoxyphenol
PubChem CID174576798
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-[(N-benzylanilino)methyl]-2-methoxyphenol
SMILESCOc1cc(CN(Cc2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C21H21NO2/c1-24-21-14-18(12-13-20(21)23)16-22(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-14,23H,15-16H2,1H3
InChIKeyQXXGHXGAJDFHAW-UHFFFAOYSA-N
XLogP4.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid
CID 88959300
N,N-dibenzylaniline
CID 139071697
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
(N-benzyl-4-hydroxy-3-methoxyanilino) acetate
CID 87717375
1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
CID 129012475
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methoxyphenol
CID 6944123
4-[(N-ethylanilino)methyl]-2-methoxybenzenecarbothioamide
CID 106788702
1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea
CID 129012477
4-[[benzenesulfonyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 90697398
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-[(3,4-dimethoxyphenyl)methyl]aniline
CID 11515358
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015

Frequently Asked Questions

What is the IUPAC name of 4-[(N-benzylanilino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(N-benzylanilino)methyl]-2-methoxyphenol (CID 174576798) is 4-[(N-benzylanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(N-benzylanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(N-benzylanilino)methyl]-2-methoxyphenol is COc1cc(CN(Cc2ccccc2)c2ccccc2)ccc1O.
What is the InChIKey of 4-[(N-benzylanilino)methyl]-2-methoxyphenol?
The InChIKey is QXXGHXGAJDFHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-21-14-18(12-13-20(21)23)16-22(19-10-6-3-7-11-19)15-17-8-4-2-5-9-17/h2-14,23H,15-16H2,1H3.
What are the key properties of 4-[(N-benzylanilino)methyl]-2-methoxyphenol?
4-[(N-benzylanilino)methyl]-2-methoxyphenol has a molecular weight of 319.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-benzylanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 174576798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).