4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine

C13H20FNO2 — CID 117355397

IUPAC4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine
SMILESCOCc1ccc(OC)c(CCCCN)c1F
InChIInChI=1S/C13H20FNO2/c1-16-9-10-6-7-12(17-2)11(13(10)14)5-3-4-8-15/h6-7H,3-5,8-9,15H2,1-2H3
InChIKeyDGXAXCVZLKQONM-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.26
Rot. Bonds7

About 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine

4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine (PubChem CID 117355397) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine
PubChem CID117355397
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine
SMILESCOCc1ccc(OC)c(CCCCN)c1F
InChIInChI=1S/C13H20FNO2/c1-16-9-10-6-7-12(17-2)11(13(10)14)5-3-4-8-15/h6-7H,3-5,8-9,15H2,1-2H3
InChIKeyDGXAXCVZLKQONM-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
CID 84769662
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
4-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117366824
4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
CID 117347670
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid
CID 117305010
4-(2,7-dimethoxynaphthalen-1-yl)butan-1-amine
CID 117402236
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine?
The IUPAC name of 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine (CID 117355397) is 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine is COCc1ccc(OC)c(CCCCN)c1F.
What is the InChIKey of 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine?
The InChIKey is DGXAXCVZLKQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-16-9-10-6-7-12(17-2)11(13(10)14)5-3-4-8-15/h6-7H,3-5,8-9,15H2,1-2H3.
What are the key properties of 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine?
4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine is sourced from PubChem (CID 117355397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).