[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol

C12H19FN2O — CID 139271363

IUPAC[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol
SMILESCC(CN(C)C)Nc1ccc(CO)cc1F
InChIInChI=1S/C12H19FN2O/c1-9(7-15(2)3)14-12-5-4-10(8-16)6-11(12)13/h4-6,9,14,16H,7-8H2,1-3H3
InChIKeyBAFQYNGDDZDZHD-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.68
Rot. Bonds5

About [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol

[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol (PubChem CID 139271363) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol
PubChem CID139271363
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol
SMILESCC(CN(C)C)Nc1ccc(CO)cc1F
InChIInChI=1S/C12H19FN2O/c1-9(7-15(2)3)14-12-5-4-10(8-16)6-11(12)13/h4-6,9,14,16H,7-8H2,1-3H3
InChIKeyBAFQYNGDDZDZHD-UHFFFAOYSA-N
XLogP1.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol?
The IUPAC name of [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol (CID 139271363) is [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol is CC(CN(C)C)Nc1ccc(CO)cc1F.
What is the InChIKey of [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol?
The InChIKey is BAFQYNGDDZDZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(7-15(2)3)14-12-5-4-10(8-16)6-11(12)13/h4-6,9,14,16H,7-8H2,1-3H3.
What are the key properties of [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol?
[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol has a molecular weight of 226.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol is sourced from PubChem (CID 139271363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).