N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine

C13H20FN — CID 62692850

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccc(F)c(C)c1
InChIInChI=1S/C13H20FN/c1-4-10(2)8-15-9-12-5-6-13(14)11(3)7-12/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyIDGVUUJTOXEBIQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.27
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine

N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 62692850) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
PubChem CID62692850
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccc(F)c(C)c1
InChIInChI=1S/C13H20FN/c1-4-10(2)8-15-9-12-5-6-13(14)11(3)7-12/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyIDGVUUJTOXEBIQ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62538415
2-[[(4-fluoro-3-methylphenyl)methylamino]methyl]butanoic acid
CID 115249888
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
methyl 2-[[(4-fluoro-3-methylphenyl)methylamino]methyl]butanoate
CID 115253118
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113340247
N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enoxypropan-1-amine
CID 114264050
2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol
CID 62691567
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine (CID 62692850) is N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine is CCC(C)CNCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is IDGVUUJTOXEBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-10(2)8-15-9-12-5-6-13(14)11(3)7-12/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62692850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).