2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol

C14H21FN2O — CID 113426115

IUPAC2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
SMILESCC(CO)N(C)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C14H21FN2O/c1-10(9-18)17(2)14-6-3-11(7-13(14)15)8-16-12-4-5-12/h3,6-7,10,12,16,18H,4-5,8-9H2,1-2H3
InChIKeyVGQYQOGLXNZHDF-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.89
Rot. Bonds6

About 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol (PubChem CID 113426115) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
PubChem CID113426115
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
SMILESCC(CO)N(C)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C14H21FN2O/c1-10(9-18)17(2)14-6-3-11(7-13(14)15)8-16-12-4-5-12/h3,6-7,10,12,16,18H,4-5,8-9H2,1-2H3
InChIKeyVGQYQOGLXNZHDF-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol
CID 54994819
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propylanilino]ethanol
CID 61424894
2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
CID 54995451
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
CID 63957048
4-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluoro-N-methylaniline
CID 81057755
2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol
CID 104552865
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
CID 63052625
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol (CID 113426115) is 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol is CC(CO)N(C)c1ccc(CNC2CC2)cc1F.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol?
The InChIKey is VGQYQOGLXNZHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(9-18)17(2)14-6-3-11(7-13(14)15)8-16-12-4-5-12/h3,6-7,10,12,16,18H,4-5,8-9H2,1-2H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol?
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol is sourced from PubChem (CID 113426115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).