2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline

C12H17FN2O — CID 106638811

IUPAC2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOc1ccc(F)c(NCC2CCCN2)c1
InChIInChI=1S/C12H17FN2O/c1-16-10-4-5-11(13)12(7-10)15-8-9-3-2-6-14-9/h4-5,7,9,14-15H,2-3,6,8H2,1H3
InChIKeyYPNPYOPDGBVEGM-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.00
Rot. Bonds4

About 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline

2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 106638811) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID106638811
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOc1ccc(F)c(NCC2CCCN2)c1
InChIInChI=1S/C12H17FN2O/c1-16-10-4-5-11(13)12(7-10)15-8-9-3-2-6-14-9/h4-5,7,9,14-15H,2-3,6,8H2,1H3
InChIKeyYPNPYOPDGBVEGM-UHFFFAOYSA-N
XLogP2.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637305
4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
CID 81304983
N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide
CID 106637015
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 66984484
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
N-(1,3-dioxan-4-ylmethyl)-2-fluoro-5-methoxyaniline
CID 81093394
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
2-fluoro-5-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102897506
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
3-fluoro-5-methoxy-N-(piperidin-2-ylmethyl)aniline
CID 114262758
2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline (CID 106638811) is 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline is COc1ccc(F)c(NCC2CCCN2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is YPNPYOPDGBVEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-16-10-4-5-11(13)12(7-10)15-8-9-3-2-6-14-9/h4-5,7,9,14-15H,2-3,6,8H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline?
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 224.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 106638811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).