2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine

C14H23FN2O2 — CID 66178863

IUPAC2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine
SMILESCCN(c1ccc(F)cc1)C(C)(CN)C(OC)OC
InChIInChI=1S/C14H23FN2O2/c1-5-17(12-8-6-11(15)7-9-12)14(2,10-16)13(18-3)19-4/h6-9,13H,5,10,16H2,1-4H3
InChIKeyCDAJTNYYTLOTON-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.99
Rot. Bonds7

About 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine

2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine (PubChem CID 66178863) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine
PubChem CID66178863
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine
SMILESCCN(c1ccc(F)cc1)C(C)(CN)C(OC)OC
InChIInChI=1S/C14H23FN2O2/c1-5-17(12-8-6-11(15)7-9-12)14(2,10-16)13(18-3)19-4/h6-9,13H,5,10,16H2,1-4H3
InChIKeyCDAJTNYYTLOTON-UHFFFAOYSA-N
XLogP1.99
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine (CID 66178863) is 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine is CCN(c1ccc(F)cc1)C(C)(CN)C(OC)OC.
What is the InChIKey of 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine?
The InChIKey is CDAJTNYYTLOTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-5-17(12-8-6-11(15)7-9-12)14(2,10-16)13(18-3)19-4/h6-9,13H,5,10,16H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine?
2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine has a molecular weight of 270.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine is sourced from PubChem (CID 66178863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).