2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol

C16H20N2O2 — CID 43616982

IUPAC2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccc(N(C)C)cc2)c1O
InChIInChI=1S/C16H20N2O2/c1-18(2)14-9-7-13(8-10-14)17-11-12-5-4-6-15(20-3)16(12)19/h4-10,17,19H,11H2,1-3H3
InChIKeyNMQNZFRKIZICFM-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.08
Rot. Bonds5

About 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol

2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol (PubChem CID 43616982) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
PubChem CID43616982
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ccc(N(C)C)cc2)c1O
InChIInChI=1S/C16H20N2O2/c1-18(2)14-9-7-13(8-10-14)17-11-12-5-4-6-15(20-3)16(12)19/h4-10,17,19H,11H2,1-3H3
InChIKeyNMQNZFRKIZICFM-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'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
CID 43690589
2-[[4-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 43673138
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
CID 66351207
1-N-[(2,5-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39387639
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639
N-[2-(diethylamino)ethyl]-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzamide
CID 51047336
2-methoxy-6-[(3-methoxy-4-nitroanilino)methyl]phenol
CID 133448219
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991
2-methoxy-6-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 6950881
2-methoxy-6-[(3-nitroanilino)methyl]phenol
CID 5140432
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol (CID 43616982) is 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol is COc1cccc(CNc2ccc(N(C)C)cc2)c1O.
What is the InChIKey of 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol?
The InChIKey is NMQNZFRKIZICFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(2)14-9-7-13(8-10-14)17-11-12-5-4-6-15(20-3)16(12)19/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol?
2-[[4-(dimethylamino)anilino]methyl]-6-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 2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol is sourced from PubChem (CID 43616982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).