4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline

C12H16FNO — CID 104870486

IUPAC4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline
SMILESCOC1CC(Nc2ccc(F)cc2C)C1
InChIInChI=1S/C12H16FNO/c1-8-5-9(13)3-4-12(8)14-10-6-11(7-10)15-2/h3-5,10-11,14H,6-7H2,1-2H3
InChIKeySLRHHAPZIOFKEC-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.72
Rot. Bonds3

About 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline

4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline (PubChem CID 104870486) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline
PubChem CID104870486
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline
SMILESCOC1CC(Nc2ccc(F)cc2C)C1
InChIInChI=1S/C12H16FNO/c1-8-5-9(13)3-4-12(8)14-10-6-11(7-10)15-2/h3-5,10-11,14H,6-7H2,1-2H3
InChIKeySLRHHAPZIOFKEC-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
CID 106821360
N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587914
2,3,4-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821253
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
4-fluoro-N-(3-methoxycyclobutyl)-3-methylaniline
CID 104870459
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
CID 79769252
5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile
CID 103082053
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline
CID 43632560
3,4,5-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821480
N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072744
1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline?
The IUPAC name of 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline (CID 104870486) is 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline.
What is the SMILES notation for 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline?
The canonical SMILES for 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline is COC1CC(Nc2ccc(F)cc2C)C1.
What is the InChIKey of 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline?
The InChIKey is SLRHHAPZIOFKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-9(13)3-4-12(8)14-10-6-11(7-10)15-2/h3-5,10-11,14H,6-7H2,1-2H3.
What are the key properties of 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline?
4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline has a molecular weight of 209.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline is sourced from PubChem (CID 104870486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).