2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol

C16H20N2O — CID 115377279

IUPAC2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
SMILESCc1ccc(NCc2ccccc2O)cc1N(C)C
InChIInChI=1S/C16H20N2O/c1-12-8-9-14(10-15(12)18(2)3)17-11-13-6-4-5-7-16(13)19/h4-10,17,19H,11H2,1-3H3
InChIKeyFJMYJMMWCWNZRW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.38
Rot. Bonds4

About 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol

2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol (PubChem CID 115377279) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
PubChem CID115377279
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
SMILESCc1ccc(NCc2ccccc2O)cc1N(C)C
InChIInChI=1S/C16H20N2O/c1-12-8-9-14(10-15(12)18(2)3)17-11-13-6-4-5-7-16(13)19/h4-10,17,19H,11H2,1-3H3
InChIKeyFJMYJMMWCWNZRW-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': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
1-N-(1-benzothiophen-3-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377092
1-N-[(2-methoxy-3-pyridinyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378060
1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376832
3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376878
4-[[3-(dimethylamino)-4-methylanilino]methyl]-5-methylthiophene-2-carboxylic acid
CID 103260528
1-N-[(3,5-dichlorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376970
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377244
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
3-N,3-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzene-1,3-diamine
CID 115376869
3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377275

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol?
The IUPAC name of 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol (CID 115377279) is 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol.
What is the SMILES notation for 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol?
The canonical SMILES for 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol is Cc1ccc(NCc2ccccc2O)cc1N(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol?
The InChIKey is FJMYJMMWCWNZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-8-9-14(10-15(12)18(2)3)17-11-13-6-4-5-7-16(13)19/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol?
2-[[3-(dimethylamino)-4-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-[[3-(dimethylamino)-4-methylanilino]methyl]phenol is sourced from PubChem (CID 115377279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).