1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol

C14H21FN2O — CID 143512902

IUPAC1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol
SMILESC=C(C(O)CN)C(CC)(NC)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-14(17-3,10(2)13(18)9-16)11-5-7-12(15)8-6-11/h5-8,13,17-18H,2,4,9,16H2,1,3H3
InChIKeyRSFBNUDRSCEASY-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.53
Rot. Bonds6

About 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol

1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol (PubChem CID 143512902) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol
PubChem CID143512902
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol
SMILESC=C(C(O)CN)C(CC)(NC)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-14(17-3,10(2)13(18)9-16)11-5-7-12(15)8-6-11/h5-8,13,17-18H,2,4,9,16H2,1,3H3
InChIKeyRSFBNUDRSCEASY-UHFFFAOYSA-N
XLogP1.53
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol 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 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol?
The IUPAC name of 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol (CID 143512902) is 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol.
What is the SMILES notation for 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol?
The canonical SMILES for 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol is C=C(C(O)CN)C(CC)(NC)c1ccc(F)cc1.
What is the InChIKey of 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol?
The InChIKey is RSFBNUDRSCEASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-14(17-3,10(2)13(18)9-16)11-5-7-12(15)8-6-11/h5-8,13,17-18H,2,4,9,16H2,1,3H3.
What are the key properties of 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol?
1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol has a molecular weight of 252.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-fluorophenyl)-4-(methylamino)-3-methylidenehexan-2-ol is sourced from PubChem (CID 143512902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).