4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline

C16H19FN2 — CID 105092995

IUPAC4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
SMILESCNC(c1ccc(N(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-18-16(13-5-4-6-14(17)11-13)12-7-9-15(10-8-12)19(2)3/h4-11,16,18H,1-3H3
InChIKeyFANPMUMYOVGRTE-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.20
Rot. Bonds4

About 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline

4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline (PubChem CID 105092995) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
PubChem CID105092995
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
SMILESCNC(c1ccc(N(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-18-16(13-5-4-6-14(17)11-13)12-7-9-15(10-8-12)19(2)3/h4-11,16,18H,1-3H3
InChIKeyFANPMUMYOVGRTE-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105088233
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(3-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482464
1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115791802
1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 60818375
3-[(4-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105284037
1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43479966
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline (CID 105092995) is 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline is CNC(c1ccc(N(C)C)cc1)c1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline?
The InChIKey is FANPMUMYOVGRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-18-16(13-5-4-6-14(17)11-13)12-7-9-15(10-8-12)19(2)3/h4-11,16,18H,1-3H3.
What are the key properties of 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline?
4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105092995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).