N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine

C13H20FN — CID 20805050

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(C)NC(C)(C)C)cc1F
InChIInChI=1S/C13H20FN/c1-9-6-7-11(8-12(9)14)10(2)15-13(3,4)5/h6-8,10,15H,1-5H3
InChIKeyHPRCEOANVGTYHQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.58
Rot. Bonds2

About N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine

N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 20805050) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine
PubChem CID20805050
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(C)NC(C)(C)C)cc1F
InChIInChI=1S/C13H20FN/c1-9-6-7-11(8-12(9)14)10(2)15-13(3,4)5/h6-8,10,15H,1-5H3
InChIKeyHPRCEOANVGTYHQ-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine (CID 20805050) is N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine is Cc1ccc(C(C)NC(C)(C)C)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is HPRCEOANVGTYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-6-7-11(8-12(9)14)10(2)15-13(3,4)5/h6-8,10,15H,1-5H3.
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine?
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 20805050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).