1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine

C14H21ClFN — CID 102618580

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1cc(F)ccc1Cl)CC(C)C
InChIInChI=1S/C14H21ClFN/c1-4-17-13(7-10(2)3)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,4,7,9H2,1-3H3
InChIKeyHRZNNCIIBLOCMO-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.05
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine

1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 102618580) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
PubChem CID102618580
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1cc(F)ccc1Cl)CC(C)C
InChIInChI=1S/C14H21ClFN/c1-4-17-13(7-10(2)3)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,4,7,9H2,1-3H3
InChIKeyHRZNNCIIBLOCMO-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 102619141
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 114012691
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 102619350
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine (CID 102618580) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1cc(F)ccc1Cl)CC(C)C.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is HRZNNCIIBLOCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-4-17-13(7-10(2)3)9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,4,7,9H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 257.78 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 102618580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).