3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline

C17H18FNO — CID 43633456

IUPAC3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1cccc(C2CC(Nc3cccc(F)c3)C2)c1
InChIInChI=1S/C17H18FNO/c1-20-17-7-2-4-12(10-17)13-8-16(9-13)19-15-6-3-5-14(18)11-15/h2-7,10-11,13,16,19H,8-9H2,1H3
InChIKeyDJEZRICGFJRWLT-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.19
Rot. Bonds4

About 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline

3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline (PubChem CID 43633456) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
PubChem CID43633456
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1cccc(C2CC(Nc3cccc(F)c3)C2)c1
InChIInChI=1S/C17H18FNO/c1-20-17-7-2-4-12(10-17)13-8-16(9-13)19-15-6-3-5-14(18)11-15/h2-7,10-11,13,16,19H,8-9H2,1H3
InChIKeyDJEZRICGFJRWLT-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
2,4-difluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633711
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633870
3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43633782
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146
3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435
2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633015
2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633801
3-bromo-N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylaniline
CID 107630084

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The IUPAC name of 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline (CID 43633456) is 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The canonical SMILES for 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline is COc1cccc(C2CC(Nc3cccc(F)c3)C2)c1.
What is the InChIKey of 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The InChIKey is DJEZRICGFJRWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-17-7-2-4-12(10-17)13-8-16(9-13)19-15-6-3-5-14(18)11-15/h2-7,10-11,13,16,19H,8-9H2,1H3.
What are the key properties of 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline has a molecular weight of 271.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).