1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine

C13H19ClFN — CID 105017361

IUPAC1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1cccc(F)c1Cl)C(C)CC
InChIInChI=1S/C13H19ClFN/c1-4-9(3)13(16-5-2)10-7-6-8-11(15)12(10)14/h6-9,13,16H,4-5H2,1-3H3
InChIKeyIGISTPPPDTYHIM-UHFFFAOYSA-N
MW243.75 g/mol
LogP4.18
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 105017361) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID105017361
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1cccc(F)c1Cl)C(C)CC
InChIInChI=1S/C13H19ClFN/c1-4-9(3)13(16-5-2)10-7-6-8-11(15)12(10)14/h6-9,13,16H,4-5H2,1-3H3
InChIKeyIGISTPPPDTYHIM-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine
CID 107893373
1-(2-chloro-3-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 105017259
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017616
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 114887240
N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827914
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
1-(2-bromophenyl)-N-ethyl-2-methylbutan-1-amine
CID 79445957
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017296
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-chloro-3-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000748
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 107994549

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine (CID 105017361) is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine is CCNC(c1cccc(F)c1Cl)C(C)CC.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is IGISTPPPDTYHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-4-9(3)13(16-5-2)10-7-6-8-11(15)12(10)14/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine?
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 243.75 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 105017361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).