1-(4-fluorophenyl)-N,N-dimethylmethanamine

C9H12FN — CID 11607022

IUPAC1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyOTIPUJJPMXLPDF-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.89
Rot. Bonds2

About 1-(4-fluorophenyl)-N,N-dimethylmethanamine

1-(4-fluorophenyl)-N,N-dimethylmethanamine (PubChem CID 11607022) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethylmethanamine
PubChem CID11607022
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyOTIPUJJPMXLPDF-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethylmethanamine (CID 11607022) is 1-(4-fluorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethylmethanamine is CN(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The InChIKey is OTIPUJJPMXLPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethylmethanamine?
1-(4-fluorophenyl)-N,N-dimethylmethanamine has a molecular weight of 153.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 11607022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).