1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol

C14H21FN2O2 — CID 61462344

IUPAC1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
SMILESCN1CCC(NCC(O)COc2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2O2/c1-17-7-6-12(9-17)16-8-13(18)10-19-14-4-2-11(15)3-5-14/h2-5,12-13,16,18H,6-10H2,1H3
InChIKeyJRZSZIQUBYBGGW-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.86
Rot. Bonds6

About 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol

1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol (PubChem CID 61462344) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
PubChem CID61462344
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
SMILESCN1CCC(NCC(O)COc2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2O2/c1-17-7-6-12(9-17)16-8-13(18)10-19-14-4-2-11(15)3-5-14/h2-5,12-13,16,18H,6-10H2,1H3
InChIKeyJRZSZIQUBYBGGW-UHFFFAOYSA-N
XLogP0.86
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-hydroxy-3-[(1-methylpyrrolidin-3-yl)amino]propoxy]benzonitrile
CID 61462137
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4300673
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 166238807
5-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-1-methylpiperidin-2-one
CID 64654934
1-[(1-methylpiperidin-4-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 23934706
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 54949730
4-[2-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]propoxy]benzonitrile
CID 60909247
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol (CID 61462344) is 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol is CN1CCC(NCC(O)COc2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol?
The InChIKey is JRZSZIQUBYBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-17-7-6-12(9-17)16-8-13(18)10-19-14-4-2-11(15)3-5-14/h2-5,12-13,16,18H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol?
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol has a molecular weight of 268.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 61462344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).