1-(4-chlorophenyl)-2-fluoro-N-methylethanamine

C9H11ClFN — CID 83817763

IUPAC1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
SMILESCNC(CF)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClFN/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,12H,6H2,1H3
InChIKeyYGIJRDPWAFQZEA-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.57
Rot. Bonds3

About 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine

1-(4-chlorophenyl)-2-fluoro-N-methylethanamine (PubChem CID 83817763) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
PubChem CID83817763
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
SMILESCNC(CF)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClFN/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,12H,6H2,1H3
InChIKeyYGIJRDPWAFQZEA-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
4-(4-chlorophenyl)-4-(methylamino)butan-2-one
CID 116955972
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline
CID 125466322
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine (CID 83817763) is 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine is CNC(CF)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine?
The InChIKey is YGIJRDPWAFQZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,12H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine?
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-fluoro-N-methylethanamine is sourced from PubChem (CID 83817763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).