1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine

C15H23ClFNO — CID 114857144

IUPAC1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFNO/c1-4-15(5-2,19-6-3)14(18)9-11-7-8-12(16)10-13(11)17/h7-8,10,14H,4-6,9,18H2,1-3H3
InChIKeyBJAUIZUXNGSNPS-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.94
Rot. Bonds7

About 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine

1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine (PubChem CID 114857144) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
PubChem CID114857144
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFNO/c1-4-15(5-2,19-6-3)14(18)9-11-7-8-12(16)10-13(11)17/h7-8,10,14H,4-6,9,18H2,1-3H3
InChIKeyBJAUIZUXNGSNPS-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 114857146
1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759497
1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760652
1-(4-chloro-2-fluorophenyl)-3-propoxypropan-2-amine
CID 114855448
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
CID 117046792
1-(2-chloro-5-fluorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 102619367
1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 103048857
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105132898
3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
CID 116759601

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine (CID 114857144) is 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine is CCOC(CC)(CC)C(N)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine?
The InChIKey is BJAUIZUXNGSNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-15(5-2,19-6-3)14(18)9-11-7-8-12(16)10-13(11)17/h7-8,10,14H,4-6,9,18H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine?
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.94, 7 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)-3-ethoxy-3-ethylpentan-2-amine is sourced from PubChem (CID 114857144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).