1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine

C14H21ClFN — CID 114012691

IUPAC1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)CC(C)C
InChIInChI=1S/C14H21ClFN/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3
InChIKeyNEAMYTUSNOLTCK-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine

1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 114012691) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
PubChem CID114012691
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)CC(C)C
InChIInChI=1S/C14H21ClFN/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3
InChIKeyNEAMYTUSNOLTCK-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-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 114012714
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 103040087
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine (CID 114012691) is 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1ccc(Cl)c(F)c1)CC(C)C.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is NEAMYTUSNOLTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-4-17-12(7-10(2)3)8-11-5-6-13(15)14(16)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine?
1-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 114012691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).