4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline

C17H21FN2 — CID 62123655

IUPAC4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
SMILESCc1cc(F)ccc1CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21FN2/c1-13-10-16(18)7-6-15(13)12-19-11-14-4-8-17(9-5-14)20(2)3/h4-10,19H,11-12H2,1-3H3
InChIKeyQJHBHIBCIFKLLY-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.49
Rot. Bonds5

About 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline

4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline (PubChem CID 62123655) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
PubChem CID62123655
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
SMILESCc1cc(F)ccc1CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C17H21FN2/c1-13-10-16(18)7-6-15(13)12-19-11-14-4-8-17(9-5-14)20(2)3/h4-10,19H,11-12H2,1-3H3
InChIKeyQJHBHIBCIFKLLY-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-fluorophenyl)methylamino]methyl]-3-methylbenzonitrile
CID 114479694
1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376553
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]benzene-1,2,3-triol
CID 103953108
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115875937
4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17123265
1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 110826343
4-[[(4-bromo-2-chlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115595283
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
1-(dimethylamino)-3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 103839019
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 62503677

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline (CID 62123655) is 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline is Cc1cc(F)ccc1CNCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is QJHBHIBCIFKLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13-10-16(18)7-6-15(13)12-19-11-14-4-8-17(9-5-14)20(2)3/h4-10,19H,11-12H2,1-3H3.
What are the key properties of 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline?
4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 62123655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).