2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine

C16H23ClFNO — CID 103040345

IUPAC2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C1(C)CCCCO1
InChIInChI=1S/C16H23ClFNO/c1-3-19-15(16(2)8-4-5-9-20-16)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3
InChIKeyMYHFXOSEARIDCK-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.96
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 103040345) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
PubChem CID103040345
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)C1(C)CCCCO1
InChIInChI=1S/C16H23ClFNO/c1-3-19-15(16(2)8-4-5-9-20-16)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3
InChIKeyMYHFXOSEARIDCK-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683647
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 80684942
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 112653884
[2-(3-chloro-4-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831414
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685504
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106827647
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
[2-(4-chloro-2-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256152

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine (CID 103040345) is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine is CCNC(Cc1ccc(F)c(Cl)c1)C1(C)CCCCO1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is MYHFXOSEARIDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-3-19-15(16(2)8-4-5-9-20-16)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 299.82 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 103040345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).