2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol

C14H22FNO2 — CID 102878570

IUPAC2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-3-4-7-16(8-9-17)11-12-5-6-13(18-2)10-14(12)15/h5-6,10,17H,3-4,7-9,11H2,1-2H3
InChIKeyVHBDSLBVNRCJDG-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.43
Rot. Bonds8

About 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol

2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol (PubChem CID 102878570) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
PubChem CID102878570
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-3-4-7-16(8-9-17)11-12-5-6-13(18-2)10-14(12)15/h5-6,10,17H,3-4,7-9,11H2,1-2H3
InChIKeyVHBDSLBVNRCJDG-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102878826
2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102878820
N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 102876148
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
CID 60967044
3-[ethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propanethioamide
CID 102876762
1,2-difluoro-4-methoxybenzene;ethane;pentane
CID 144721710
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234
N'-[(4-bromo-2-fluorophenyl)methyl]-N'-butylethane-1,2-diamine
CID 55003142
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol (CID 102878570) is 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol is CCCCN(CCO)Cc1ccc(OC)cc1F.
What is the InChIKey of 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol?
The InChIKey is VHBDSLBVNRCJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-4-7-16(8-9-17)11-12-5-6-13(18-2)10-14(12)15/h5-6,10,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol?
2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol has a molecular weight of 255.33 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 102878570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).