3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol

C14H22FNO — CID 62629969

IUPAC3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccccc1F)C(C)C
InChIInChI=1S/C14H22FNO/c1-4-16(11(2)3)10-9-14(17)12-7-5-6-8-13(12)15/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyQXYIBLFZJBMDQW-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.98
Rot. Bonds6

About 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol

3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol (PubChem CID 62629969) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
PubChem CID62629969
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccccc1F)C(C)C
InChIInChI=1S/C14H22FNO/c1-4-16(11(2)3)10-9-14(17)12-7-5-6-8-13(12)15/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyQXYIBLFZJBMDQW-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
1-[ethyl-[3-(2-fluorophenyl)-3-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 79378244
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol
CID 164740523
1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
CID 79490115
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol (CID 62629969) is 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol is CCN(CCC(O)c1ccccc1F)C(C)C.
What is the InChIKey of 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is QXYIBLFZJBMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-16(11(2)3)10-9-14(17)12-7-5-6-8-13(12)15/h5-8,11,14,17H,4,9-10H2,1-3H3.
What are the key properties of 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol?
3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propan-2-yl)amino]-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 62629969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).