4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine

C11H23ClFNO — CID 146439046

IUPAC4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine
SMILESCCOCC(C)NCCC(C)C(Cl)CF
InChIInChI=1S/C11H23ClFNO/c1-4-15-8-10(3)14-6-5-9(2)11(12)7-13/h9-11,14H,4-8H2,1-3H3
InChIKeyZNYRLWRCLIKGMH-UHFFFAOYSA-N
MW239.76 g/mol
LogP2.60
Rot. Bonds9

About 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine

4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine (PubChem CID 146439046) has the molecular formula C11H23ClFNO and a molecular weight of 239.76 g/mol. Its IUPAC name is 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine
PubChem CID146439046
Molecular FormulaC11H23ClFNO
Molecular Weight239.76 g/mol
Exact Mass239.15
IUPAC Name4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine
SMILESCCOCC(C)NCCC(C)C(Cl)CF
InChIInChI=1S/C11H23ClFNO/c1-4-15-8-10(3)14-6-5-9(2)11(12)7-13/h9-11,14H,4-8H2,1-3H3
InChIKeyZNYRLWRCLIKGMH-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.76
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine
CID 115890248
N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
CID 115707824
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115718789
1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
2-N-(1-ethoxypropan-2-yl)propane-1,2-diamine
CID 103389655
3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 113260256
1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine
CID 103903509
1-cyclopropyl-N-(1-ethoxypropan-2-yl)propan-2-amine
CID 115716929
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-1-ethoxypropan-2-amine
CID 115895116

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine?
The IUPAC name of 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine (CID 146439046) is 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine.
What is the SMILES notation for 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine?
The canonical SMILES for 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine is CCOCC(C)NCCC(C)C(Cl)CF.
What is the InChIKey of 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine?
The InChIKey is ZNYRLWRCLIKGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClFNO/c1-4-15-8-10(3)14-6-5-9(2)11(12)7-13/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine?
4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine has a molecular weight of 239.76 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethoxypropan-2-yl)-5-fluoro-3-methylpentan-1-amine is sourced from PubChem (CID 146439046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).