1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine

C15H23ClFNO — CID 116717986

IUPAC1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFNO/c1-4-7-14(19-6-3)15(18-5-2)12-9-8-11(16)10-13(12)17/h8-10,14-15,18H,4-7H2,1-3H3
InChIKeyXTBWDTJDPLEJRQ-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.33
Rot. Bonds8

About 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine

1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine (PubChem CID 116717986) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
PubChem CID116717986
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
SMILESCCCC(OCC)C(NCC)c1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFNO/c1-4-7-14(19-6-3)15(18-5-2)12-9-8-11(16)10-13(12)17/h8-10,14-15,18H,4-7H2,1-3H3
InChIKeyXTBWDTJDPLEJRQ-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
2-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 116718011
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
1-(4-chloro-2-fluorophenyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312204
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(4-chloro-2-fluorophenyl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116725980
1-(4-chloro-2-fluorophenyl)-2-ethoxybutan-1-amine
CID 116716265
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine (CID 116717986) is 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine is CCCC(OCC)C(NCC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine?
The InChIKey is XTBWDTJDPLEJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-7-14(19-6-3)15(18-5-2)12-9-8-11(16)10-13(12)17/h8-10,14-15,18H,4-7H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine?
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine is sourced from PubChem (CID 116717986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).