3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine

C16H22F3NO — CID 115516703

IUPAC3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCCCCC(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-21-15-7-3-2-6-14(15)12-10-13(11-12)20-9-5-4-8-16(17,18)19/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3
InChIKeyBTJITRGOAYKQKS-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.26
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine

3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine (PubChem CID 115516703) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
PubChem CID115516703
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NCCCCC(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-21-15-7-3-2-6-14(15)12-10-13(11-12)20-9-5-4-8-16(17,18)19/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3
InChIKeyBTJITRGOAYKQKS-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190
ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate
CID 64577929
N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62635026
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599
3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516339
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
3-(2-methoxyphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80684219
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine (CID 115516703) is 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine is COc1ccccc1C1CC(NCCCCC(F)(F)F)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine?
The InChIKey is BTJITRGOAYKQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-21-15-7-3-2-6-14(15)12-10-13(11-12)20-9-5-4-8-16(17,18)19/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine?
3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine is sourced from PubChem (CID 115516703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).