1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine

C15H23FN2O — CID 64570224

IUPAC1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
SMILESCOCC1CCN(C(c2cccc(F)c2)C(C)N)C1
InChIInChI=1S/C15H23FN2O/c1-11(17)15(13-4-3-5-14(16)8-13)18-7-6-12(9-18)10-19-2/h3-5,8,11-12,15H,6-7,9-10,17H2,1-2H3
InChIKeyWNJJOSPRTJBPNS-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.18
Rot. Bonds5

About 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine

1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine (PubChem CID 64570224) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
PubChem CID64570224
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
SMILESCOCC1CCN(C(c2cccc(F)c2)C(C)N)C1
InChIInChI=1S/C15H23FN2O/c1-11(17)15(13-4-3-5-14(16)8-13)18-7-6-12(9-18)10-19-2/h3-5,8,11-12,15H,6-7,9-10,17H2,1-2H3
InChIKeyWNJJOSPRTJBPNS-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
[4-[2-amino-1-(3-fluorophenyl)propyl]morpholin-2-yl]methanol
CID 81205350
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
CID 106585949
3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
CID 63973619
1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020486
1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
CID 103530869
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine (CID 64570224) is 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine is COCC1CCN(C(c2cccc(F)c2)C(C)N)C1.
What is the InChIKey of 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine?
The InChIKey is WNJJOSPRTJBPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17)15(13-4-3-5-14(16)8-13)18-7-6-12(9-18)10-19-2/h3-5,8,11-12,15H,6-7,9-10,17H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine?
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine has a molecular weight of 266.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine is sourced from PubChem (CID 64570224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).