2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol

C14H23FN2O — CID 107113234

IUPAC2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1cccc(CN)c1F
InChIInChI=1S/C14H23FN2O/c1-2-3-7-17(8-9-18)11-13-6-4-5-12(10-16)14(13)15/h4-6,18H,2-3,7-11,16H2,1H3
InChIKeyXBMUPFGJOLVFKM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.88
Rot. Bonds8

About 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol

2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol (PubChem CID 107113234) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
PubChem CID107113234
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1cccc(CN)c1F
InChIInChI=1S/C14H23FN2O/c1-2-3-7-17(8-9-18)11-13-6-4-5-12(10-16)14(13)15/h4-6,18H,2-3,7-11,16H2,1H3
InChIKeyXBMUPFGJOLVFKM-UHFFFAOYSA-N
XLogP1.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112508
2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
CID 60967044
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822
2-[[butyl(2-hydroxyethyl)amino]methyl]-4-fluorobenzenecarbothioamide
CID 64763758
3-[(dibutylamino)methyl]benzene-1,2-diol
CID 15553610
N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine
CID 6425660
2-[2-[(dibutylamino)methyl]phenyl]acetic acid
CID 115462548
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol (CID 107113234) is 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol is CCCCN(CCO)Cc1cccc(CN)c1F.
What is the InChIKey of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol?
The InChIKey is XBMUPFGJOLVFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-2-3-7-17(8-9-18)11-13-6-4-5-12(10-16)14(13)15/h4-6,18H,2-3,7-11,16H2,1H3.
What are the key properties of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol?
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol has a molecular weight of 254.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol is sourced from PubChem (CID 107113234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).