1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine

C11H16FNO — CID 117287117

IUPAC1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cc(F)ccc1CC(C)N
InChIInChI=1S/C11H16FNO/c1-8(13)5-9-3-4-11(12)6-10(9)7-14-2/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyNQSUQAIGOVGNKO-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.86
Rot. Bonds4

About 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine

1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 117287117) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
PubChem CID117287117
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cc(F)ccc1CC(C)N
InChIInChI=1S/C11H16FNO/c1-8(13)5-9-3-4-11(12)6-10(9)7-14-2/h3-4,6,8H,5,7,13H2,1-2H3
InChIKeyNQSUQAIGOVGNKO-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 147165648
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
CID 63816194
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine (CID 117287117) is 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine is COCc1cc(F)ccc1CC(C)N.
What is the InChIKey of 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is NQSUQAIGOVGNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(13)5-9-3-4-11(12)6-10(9)7-14-2/h3-4,6,8H,5,7,13H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine?
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117287117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).