2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol

C10H22FNO — CID 106255813

IUPAC2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCF
InChIInChI=1S/C10H22FNO/c1-3-10(4-2,9-13)8-12-7-5-6-11/h12-13H,3-9H2,1-2H3
InChIKeyXDNXMIMPPZFYKK-UHFFFAOYSA-N
MW191.29 g/mol
LogP1.73
Rot. Bonds8

About 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol

2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol (PubChem CID 106255813) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol
PubChem CID106255813
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCCCF
InChIInChI=1S/C10H22FNO/c1-3-10(4-2,9-13)8-12-7-5-6-11/h12-13H,3-9H2,1-2H3
InChIKeyXDNXMIMPPZFYKK-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol (CID 106255813) is 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol is CCC(CC)(CO)CNCCCF.
What is the InChIKey of 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol?
The InChIKey is XDNXMIMPPZFYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-3-10(4-2,9-13)8-12-7-5-6-11/h12-13H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol?
2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol has a molecular weight of 191.29 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol is sourced from PubChem (CID 106255813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).