2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol

C16H20N2O — CID 43676965

IUPAC2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
SMILESCc1cc(N(C)C)ccc1NCc1ccccc1O
InChIInChI=1S/C16H20N2O/c1-12-10-14(18(2)3)8-9-15(12)17-11-13-6-4-5-7-16(13)19/h4-10,17,19H,11H2,1-3H3
InChIKeyXHHUYIABQRNFCJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.38
Rot. Bonds4

About 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol

2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol (PubChem CID 43676965) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
PubChem CID43676965
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
SMILESCc1cc(N(C)C)ccc1NCc1ccccc1O
InChIInChI=1S/C16H20N2O/c1-12-10-14(18(2)3)8-9-15(12)17-11-13-6-4-5-7-16(13)19/h4-10,17,19H,11H2,1-3H3
InChIKeyXHHUYIABQRNFCJ-UHFFFAOYSA-N
XLogP3.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43676922
4-N,4-N,2-trimethyl-1-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,4-diamine
CID 43779648
2-[(2-methylanilino)methyl]phenol
CID 3240149
1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676987
4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine
CID 55060168
1-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 66158897
4-N,4-N,2-trimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
CID 62759246
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
4-N,4-N,2-trimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,4-diamine
CID 62760453
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
CID 43676976
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol?
The IUPAC name of 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol (CID 43676965) is 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol.
What is the SMILES notation for 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol?
The canonical SMILES for 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol is Cc1cc(N(C)C)ccc1NCc1ccccc1O.
What is the InChIKey of 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol?
The InChIKey is XHHUYIABQRNFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-14(18(2)3)8-9-15(12)17-11-13-6-4-5-7-16(13)19/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol?
2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol has a molecular weight of 256.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol is sourced from PubChem (CID 43676965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).