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

C15H24FNO — CID 62628587

IUPAC3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol
SMILESCCN(CCC(O)c1cccc(F)c1)CC(C)C
InChIInChI=1S/C15H24FNO/c1-4-17(11-12(2)3)9-8-15(18)13-6-5-7-14(16)10-13/h5-7,10,12,15,18H,4,8-9,11H2,1-3H3
InChIKeySDRWHFKHZIDXNY-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.23
Rot. Bonds7

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

3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol (PubChem CID 62628587) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol
PubChem CID62628587
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol
SMILESCCN(CCC(O)c1cccc(F)c1)CC(C)C
InChIInChI=1S/C15H24FNO/c1-4-17(11-12(2)3)9-8-15(18)13-6-5-7-14(16)10-13/h5-7,10,12,15,18H,4,8-9,11H2,1-3H3
InChIKeySDRWHFKHZIDXNY-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
CID 102997262
3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
CID 55098979
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979915
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682
(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol (CID 62628587) is 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol is CCN(CCC(O)c1cccc(F)c1)CC(C)C.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is SDRWHFKHZIDXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-17(11-12(2)3)9-8-15(18)13-6-5-7-14(16)10-13/h5-7,10,12,15,18H,4,8-9,11H2,1-3H3.
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol?
3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 253.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 62628587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).