N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine

C16H24FN — CID 115863518

IUPACN-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cc(C)ccc1F
InChIInChI=1S/C16H24FN/c1-3-9-18-16(11-13-5-4-6-13)14-10-12(2)7-8-15(14)17/h7-8,10,13,16,18H,3-6,9,11H2,1-2H3
InChIKeyOOMKVJULKRUFDB-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.37
Rot. Bonds6

About N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine

N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine (PubChem CID 115863518) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
PubChem CID115863518
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1cc(C)ccc1F
InChIInChI=1S/C16H24FN/c1-3-9-18-16(11-13-5-4-6-13)14-10-12(2)7-8-15(14)17/h7-8,10,13,16,18H,3-6,9,11H2,1-2H3
InChIKeyOOMKVJULKRUFDB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
1-(2-fluoro-5-methylphenyl)-N-propylbut-3-en-1-amine
CID 116660920
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 81045921

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine (CID 115863518) is N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCC1)c1cc(C)ccc1F.
What is the InChIKey of N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine?
The InChIKey is OOMKVJULKRUFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-9-18-16(11-13-5-4-6-13)14-10-12(2)7-8-15(14)17/h7-8,10,13,16,18H,3-6,9,11H2,1-2H3.
What are the key properties of N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine?
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115863518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).