1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol

C12H18FNO — CID 60885285

IUPAC1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-12(2,15)9-14-7-6-10-4-3-5-11(13)8-10/h3-5,8,14-15H,6-7,9H2,1-2H3
InChIKeyCATGJQRWEKCRFN-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol

1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol (PubChem CID 60885285) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
PubChem CID60885285
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-12(2,15)9-14-7-6-10-4-3-5-11(13)8-10/h3-5,8,14-15H,6-7,9H2,1-2H3
InChIKeyCATGJQRWEKCRFN-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-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

Related Compounds

2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96659942
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62603873
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518
2-methyl-1-[2-(4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 98015373
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 43566239
N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine
CID 104806276
N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 43401960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol (CID 60885285) is 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol is CC(C)(O)CNCCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is CATGJQRWEKCRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,15)9-14-7-6-10-4-3-5-11(13)8-10/h3-5,8,14-15H,6-7,9H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol?
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 60885285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).