N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine

C16H24FN — CID 106878892

IUPACN-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(F)cc1C)C1CCC1
InChIInChI=1S/C16H24FN/c1-4-8-18-16(13-6-5-7-13)15-11(2)9-14(17)10-12(15)3/h9-10,13,16,18H,4-8H2,1-3H3
InChIKeyCKDFTRFGVZIQHG-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.28
Rot. Bonds5

About N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine

N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine (PubChem CID 106878892) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
PubChem CID106878892
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(F)cc1C)C1CCC1
InChIInChI=1S/C16H24FN/c1-4-8-18-16(13-6-5-7-13)15-11(2)9-14(17)10-12(15)3/h9-10,13,16,18H,4-8H2,1-3H3
InChIKeyCKDFTRFGVZIQHG-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
CID 43495413
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine (CID 106878892) is N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1c(C)cc(F)cc1C)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is CKDFTRFGVZIQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-8-18-16(13-6-5-7-13)15-11(2)9-14(17)10-12(15)3/h9-10,13,16,18H,4-8H2,1-3H3.
What are the key properties of N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine?
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106878892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).