1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine

C13H20FN — CID 79703280

IUPAC1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc(C)cc(F)c1)C(C)(C)C
InChIInChI=1S/C13H20FN/c1-9-6-10(8-11(14)7-9)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3
InChIKeyLYBHLKHBCXGIID-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.44
Rot. Bonds2

About 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine

1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 79703280) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID79703280
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc(C)cc(F)c1)C(C)(C)C
InChIInChI=1S/C13H20FN/c1-9-6-10(8-11(14)7-9)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3
InChIKeyLYBHLKHBCXGIID-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-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

1-(3-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79704721
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
1-(4-fluoro-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62394130
1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197545
1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79704876
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
1-(4-fluoro-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62789845
1-[3,5-bis(trifluoromethoxy)phenyl]-N,2,2-trimethylpropan-1-amine
CID 139965827

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine (CID 79703280) is 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1cc(C)cc(F)c1)C(C)(C)C.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is LYBHLKHBCXGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-6-10(8-11(14)7-9)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine?
1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79703280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).