2-[(dimethylamino)methyl]-4-fluoroaniline

C9H13FN2 — CID 43443724

IUPAC2-[(dimethylamino)methyl]-4-fluoroaniline
SMILESCN(C)Cc1cc(F)ccc1N
InChIInChI=1S/C9H13FN2/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6,11H2,1-2H3
InChIKeyDWYJKNGANRTDTB-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.47
Rot. Bonds2

About 2-[(dimethylamino)methyl]-4-fluoroaniline

2-[(dimethylamino)methyl]-4-fluoroaniline (PubChem CID 43443724) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-fluoroaniline
PubChem CID43443724
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name2-[(dimethylamino)methyl]-4-fluoroaniline
SMILESCN(C)Cc1cc(F)ccc1N
InChIInChI=1S/C9H13FN2/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6,11H2,1-2H3
InChIKeyDWYJKNGANRTDTB-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63878885
N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43382206
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
4-fluoro-2-propylaniline
CID 23348947
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
2-[(2-amino-5-fluorophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43443776
N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
CID 62001809
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526553
2-[(dimethylamino)methyl]-4-fluorobenzoic acid
CID 107907408
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059061

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-fluoroaniline?
The IUPAC name of 2-[(dimethylamino)methyl]-4-fluoroaniline (CID 43443724) is 2-[(dimethylamino)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-fluoroaniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-fluoroaniline is CN(C)Cc1cc(F)ccc1N.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-fluoroaniline?
The InChIKey is DWYJKNGANRTDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6,11H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-fluoroaniline?
2-[(dimethylamino)methyl]-4-fluoroaniline has a molecular weight of 168.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-fluoroaniline is sourced from PubChem (CID 43443724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).