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

C14H21ClFN — CID 107884718

IUPAC1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C(C)CC
InChIInChI=1S/C14H21ClFN/c1-4-10(3)14(17-5-2)9-11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,4-5,9H2,1-3H3
InChIKeyGIOQRFDPUNIGEO-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.05
Rot. Bonds6

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

1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine (PubChem CID 107884718) 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-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
PubChem CID107884718
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C(C)CC
InChIInChI=1S/C14H21ClFN/c1-4-10(3)14(17-5-2)9-11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,4-5,9H2,1-3H3
InChIKeyGIOQRFDPUNIGEO-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-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 114012691
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
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
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine (CID 107884718) is 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine is CCNC(Cc1ccc(Cl)c(F)c1)C(C)CC.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine?
The InChIKey is GIOQRFDPUNIGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-4-10(3)14(17-5-2)9-11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,4-5,9H2,1-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine?
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-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-3-methylpentan-2-amine is sourced from PubChem (CID 107884718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).