4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol

C16H20N2O2 — CID 39371639

IUPAC4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2ccc(N(C)C)cc2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-18(2)14-7-5-13(6-8-14)17-11-12-4-9-15(19)16(10-12)20-3/h4-10,17,19H,11H2,1-3H3
InChIKeyBDBJWUQMMBTVDI-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.08
Rot. Bonds5

About 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol

4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol (PubChem CID 39371639) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
PubChem CID39371639
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2ccc(N(C)C)cc2)ccc1O
InChIInChI=1S/C16H20N2O2/c1-18(2)14-7-5-13(6-8-14)17-11-12-4-9-15(19)16(10-12)20-3/h4-10,17,19H,11H2,1-3H3
InChIKeyBDBJWUQMMBTVDI-UHFFFAOYSA-N
XLogP3.08
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39423555
2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43722167
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
CID 62809836
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
4-[(3,5-dichloro-4-fluoroanilino)methyl]-2-methoxyphenol
CID 107572501
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 114254373
2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
CID 43616982
4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
CID 79891482

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol (CID 39371639) is 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol is COc1cc(CNc2ccc(N(C)C)cc2)ccc1O.
What is the InChIKey of 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol?
The InChIKey is BDBJWUQMMBTVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(2)14-7-5-13(6-8-14)17-11-12-4-9-15(19)16(10-12)20-3/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol?
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol has a molecular weight of 272.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol is sourced from PubChem (CID 39371639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).