1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol

C14H22FNO2 — CID 60632265

IUPAC1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCc1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-11(2)18-10-14(17)9-16-8-7-12-3-5-13(15)6-4-12/h3-6,11,14,16-17H,7-10H2,1-2H3
InChIKeyPBDAOWQXSFIOCJ-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.74
Rot. Bonds8

About 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol

1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 60632265) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID60632265
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCc1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-11(2)18-10-14(17)9-16-8-7-12-3-5-13(15)6-4-12/h3-6,11,14,16-17H,7-10H2,1-2H3
InChIKeyPBDAOWQXSFIOCJ-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 164906466
1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
CID 60908753
1-[2-(furan-2-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61024566
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
3-[2-(4-fluorophenyl)ethylamino]-2-methylpropanoic acid
CID 43538395
1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007666
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719
(2S)-1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 2116069
3-[2-(4-ethylphenyl)ethylamino]propane-1,2-diol
CID 115122267

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol (CID 60632265) is 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNCCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is PBDAOWQXSFIOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(2)18-10-14(17)9-16-8-7-12-3-5-13(15)6-4-12/h3-6,11,14,16-17H,7-10H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol?
1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60632265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).