N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine

C13H20FN — CID 103674230

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCc1ccc(F)c(CNCC(C)(C)C)c1
InChIInChI=1S/C13H20FN/c1-10-5-6-12(14)11(7-10)8-15-9-13(2,3)4/h5-7,15H,8-9H2,1-4H3
InChIKeyCSUHJOILXVDULA-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.27
Rot. Bonds3

About N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine

N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 103674230) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID103674230
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCc1ccc(F)c(CNCC(C)(C)C)c1
InChIInChI=1S/C13H20FN/c1-10-5-6-12(14)11(7-10)8-15-9-13(2,3)4/h5-7,15H,8-9H2,1-4H3
InChIKeyCSUHJOILXVDULA-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440507
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-[(2-fluoro-5-methylphenyl)methyl]but-2-yn-1-amine
CID 115866443
N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 103699779
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine (CID 103674230) is N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine is Cc1ccc(F)c(CNCC(C)(C)C)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is CSUHJOILXVDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-10-5-6-12(14)11(7-10)8-15-9-13(2,3)4/h5-7,15H,8-9H2,1-4H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine?
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103674230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).