2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol

C12H18FNO — CID 62773399

IUPAC2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(2)14-8-12(3,15)10-5-4-6-11(13)7-10/h4-7,9,14-15H,8H2,1-3H3
InChIKeyQYRNVQCWKUQBEK-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.03
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol

2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 62773399) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
PubChem CID62773399
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(2)14-8-12(3,15)10-5-4-6-11(13)7-10/h4-7,9,14-15H,8H2,1-3H3
InChIKeyQYRNVQCWKUQBEK-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180
2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 105396214
2-amino-N-[2-(3-fluorophenyl)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 166299453
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726299
1-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111791863

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol (CID 62773399) is 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is QYRNVQCWKUQBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)14-8-12(3,15)10-5-4-6-11(13)7-10/h4-7,9,14-15H,8H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol?
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 62773399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).