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

C15H22FN — CID 81017316

IUPACN-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(F)cc1C1CCC1CNC(C)C
InChIInChI=1S/C15H22FN/c1-10(2)17-9-12-5-7-14(12)15-8-13(16)6-4-11(15)3/h4,6,8,10,12,14,17H,5,7,9H2,1-3H3
InChIKeyZGQMWNMLGLCHMS-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.63
Rot. Bonds4

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

N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81017316) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID81017316
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
SMILESCc1ccc(F)cc1C1CCC1CNC(C)C
InChIInChI=1S/C15H22FN/c1-10(2)17-9-12-5-7-14(12)15-8-13(16)6-4-11(15)3/h4,6,8,10,12,14,17H,5,7,9H2,1-3H3
InChIKeyZGQMWNMLGLCHMS-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099
N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81018045
N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
CID 107514752
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
CID 102756432
N-[[2-(3,5-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 81018163
N-[[2-(4-fluoro-2-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81022840
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034661
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine (CID 81017316) is N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine is Cc1ccc(F)cc1C1CCC1CNC(C)C.
What is the InChIKey of N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is ZGQMWNMLGLCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10(2)17-9-12-5-7-14(12)15-8-13(16)6-4-11(15)3/h4,6,8,10,12,14,17H,5,7,9H2,1-3H3.
What are the key properties of N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81017316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).