N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline

C17H18FNO — CID 43633962

IUPACN-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
SMILESCOc1cccc(NC2CC(c3cccc(F)c3)C2)c1
InChIInChI=1S/C17H18FNO/c1-20-17-7-3-6-15(11-17)19-16-9-13(10-16)12-4-2-5-14(18)8-12/h2-8,11,13,16,19H,9-10H2,1H3
InChIKeyXDVKFUYNZJWIMW-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.19
Rot. Bonds4

About N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline

N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline (PubChem CID 43633962) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
PubChem CID43633962
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
SMILESCOc1cccc(NC2CC(c3cccc(F)c3)C2)c1
InChIInChI=1S/C17H18FNO/c1-20-17-7-3-6-15(11-17)19-16-9-13(10-16)12-4-2-5-14(18)8-12/h2-8,11,13,16,19H,9-10H2,1H3
InChIKeyXDVKFUYNZJWIMW-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

3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
2,4-difluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633711
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43633782
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563
3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633870
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline?
The IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline (CID 43633962) is N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline.
What is the SMILES notation for N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline?
The canonical SMILES for N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline is COc1cccc(NC2CC(c3cccc(F)c3)C2)c1.
What is the InChIKey of N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline?
The InChIKey is XDVKFUYNZJWIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-17-7-3-6-15(11-17)19-16-9-13(10-16)12-4-2-5-14(18)8-12/h2-8,11,13,16,19H,9-10H2,1H3.
What are the key properties of N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline?
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline 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 N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline is sourced from PubChem (CID 43633962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).