2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline

C12H16FNO2 — CID 104870482

IUPAC2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
SMILESCOc1ccc(F)c(NC2CC(OC)C2)c1
InChIInChI=1S/C12H16FNO2/c1-15-9-3-4-11(13)12(7-9)14-8-5-10(6-8)16-2/h3-4,7-8,10,14H,5-6H2,1-2H3
InChIKeyJWBAVZUDSLQCBP-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.42
Rot. Bonds4

About 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline

2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline (PubChem CID 104870482) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
PubChem CID104870482
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
SMILESCOc1ccc(F)c(NC2CC(OC)C2)c1
InChIInChI=1S/C12H16FNO2/c1-15-9-3-4-11(13)12(7-9)14-8-5-10(6-8)16-2/h3-4,7-8,10,14H,5-6H2,1-2H3
InChIKeyJWBAVZUDSLQCBP-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
CID 106594816
4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
CID 106821360
2,3,4-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821253
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
CID 104870720
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242
4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline
CID 104870486
4-fluoro-N-(3-methoxycyclobutyl)-3-methylaniline
CID 104870459
3,4,5-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821480
(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline?
The IUPAC name of 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline (CID 104870482) is 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline is COc1ccc(F)c(NC2CC(OC)C2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline?
The InChIKey is JWBAVZUDSLQCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-9-3-4-11(13)12(7-9)14-8-5-10(6-8)16-2/h3-4,7-8,10,14H,5-6H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline?
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline has a molecular weight of 225.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline is sourced from PubChem (CID 104870482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).