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

C15H23ClFNO — CID 103031260

IUPAC1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H23ClFNO/c1-5-18-14(8-9-15(2,3)19-4)11-6-7-13(17)12(16)10-11/h6-7,10,14,18H,5,8-9H2,1-4H3
InChIKeyCILZVWOCDRPHQX-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.33
Rot. Bonds7

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

1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031260) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031260
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H23ClFNO/c1-5-18-14(8-9-15(2,3)19-4)11-6-7-13(17)12(16)10-11/h6-7,10,14,18H,5,8-9H2,1-4H3
InChIKeyCILZVWOCDRPHQX-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-5-ethenyl-2-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy]ethanamine
CID 163666252
((4-Chlorophenyl)(oxan-4-yl)methyl)(methyl)amine
CID 62907401
1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024949
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103024950
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methoxy-3-methylbutan-1-amine
CID 103026306
3-methoxy-N,3-dimethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 103027169
N-ethyl-3-methoxy-3-methyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 103027171
3-methoxy-3-methyl-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 103027172
1-(4-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028731
1-(4-Chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103028732

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031260) is 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is CILZVWOCDRPHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-5-18-14(8-9-15(2,3)19-4)11-6-7-13(17)12(16)10-11/h6-7,10,14,18H,5,8-9H2,1-4H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).