1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine

C13H19ClFNO — CID 102857957

IUPAC1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine
SMILESCCOC(CC)C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H19ClFNO/c1-3-12(17-4-2)11(16)8-9-6-5-7-10(14)13(9)15/h5-7,11-12H,3-4,8,16H2,1-2H3
InChIKeyDJZHHAMARXKMOO-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.16
Rot. Bonds6

About 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine

1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine (PubChem CID 102857957) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine
PubChem CID102857957
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine
SMILESCCOC(CC)C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H19ClFNO/c1-3-12(17-4-2)11(16)8-9-6-5-7-10(14)13(9)15/h5-7,11-12H,3-4,8,16H2,1-2H3
InChIKeyDJZHHAMARXKMOO-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
CID 107309069
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
CID 171238083
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
CID 107308264

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine (CID 102857957) is 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine is CCOC(CC)C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine?
The InChIKey is DJZHHAMARXKMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-3-12(17-4-2)11(16)8-9-6-5-7-10(14)13(9)15/h5-7,11-12H,3-4,8,16H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine has a molecular weight of 259.75 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine is sourced from PubChem (CID 102857957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).