1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol

C16H25FN2O — CID 63210835

IUPAC1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1F)CCN1CCCC1
InChIInChI=1S/C16H25FN2O/c1-18(12-13-19-9-4-5-10-19)11-8-16(20)14-6-2-3-7-15(14)17/h2-3,6-7,16,20H,4-5,8-13H2,1H3
InChIKeyKQYHXWDPLRWQAH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.28
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol

1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol (PubChem CID 63210835) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
PubChem CID63210835
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1F)CCN1CCCC1
InChIInChI=1S/C16H25FN2O/c1-18(12-13-19-9-4-5-10-19)11-8-16(20)14-6-2-3-7-15(14)17/h2-3,6-7,16,20H,4-5,8-13H2,1H3
InChIKeyKQYHXWDPLRWQAH-UHFFFAOYSA-N
XLogP2.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209
1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63211396
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63159878
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63160173

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol (CID 63210835) is 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol is CN(CCC(O)c1ccccc1F)CCN1CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The InChIKey is KQYHXWDPLRWQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-18(12-13-19-9-4-5-10-19)11-8-16(20)14-6-2-3-7-15(14)17/h2-3,6-7,16,20H,4-5,8-13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 63210835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).