1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine

C16H25ClFNO — CID 116759886

IUPAC1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1c(F)cccc1Cl)NC
InChIInChI=1S/C16H25ClFNO/c1-5-16(6-2,20-7-3)15(19-4)11-12-13(17)9-8-10-14(12)18/h8-10,15,19H,5-7,11H2,1-4H3
InChIKeyTWQBNGZDSTUPLI-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.20
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine

1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine (PubChem CID 116759886) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
PubChem CID116759886
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1c(F)cccc1Cl)NC
InChIInChI=1S/C16H25ClFNO/c1-5-16(6-2,20-7-3)15(19-4)11-12-13(17)9-8-10-14(12)18/h8-10,15,19H,5-7,11H2,1-4H3
InChIKeyTWQBNGZDSTUPLI-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758747
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2-chloro-6-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240763
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724461
4-(2-chloro-6-fluorophenyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239158
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
2-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 61080026

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine (CID 116759886) is 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine is CCOC(CC)(CC)C(Cc1c(F)cccc1Cl)NC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine?
The InChIKey is TWQBNGZDSTUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-5-16(6-2,20-7-3)15(19-4)11-12-13(17)9-8-10-14(12)18/h8-10,15,19H,5-7,11H2,1-4H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine has a molecular weight of 301.83 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine is sourced from PubChem (CID 116759886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).