2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol

C14H21FN2O — CID 64790739

IUPAC2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN(C)c1ccccc1F)C1CC1
InChIInChI=1S/C14H21FN2O/c1-16-14(10-18,11-7-8-11)9-17(2)13-6-4-3-5-12(13)15/h3-6,11,16,18H,7-10H2,1-2H3
InChIKeyVELGWFPVQCEZTJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.62
Rot. Bonds6

About 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol

2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol (PubChem CID 64790739) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol
PubChem CID64790739
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN(C)c1ccccc1F)C1CC1
InChIInChI=1S/C14H21FN2O/c1-16-14(10-18,11-7-8-11)9-17(2)13-6-4-3-5-12(13)15/h3-6,11,16,18H,7-10H2,1-2H3
InChIKeyVELGWFPVQCEZTJ-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol (CID 64790739) is 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol is CNC(CO)(CN(C)c1ccccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol?
The InChIKey is VELGWFPVQCEZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-14(10-18,11-7-8-11)9-17(2)13-6-4-3-5-12(13)15/h3-6,11,16,18H,7-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64790739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).