1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

C17H21FN2 — CID 115805098

IUPAC1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1cncc(F)c1
InChIInChI=1S/C17H21FN2/c1-17(2,3)14-7-5-12(6-8-14)16(19-4)13-9-15(18)11-20-10-13/h5-11,16,19H,1-4H3
InChIKeyBUZDJYPYZYSCBT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.83
Rot. Bonds3

About 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (PubChem CID 115805098) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
PubChem CID115805098
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1cncc(F)c1
InChIInChI=1S/C17H21FN2/c1-17(2,3)14-7-5-12(6-8-14)16(19-4)13-9-15(18)11-20-10-13/h5-11,16,19H,1-4H3
InChIKeyBUZDJYPYZYSCBT-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 81492170
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 115804713
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
1-(5-bromofuran-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115804627
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 105143391
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 106857038

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (CID 115805098) is 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is CNC(c1ccc(C(C)(C)C)cc1)c1cncc(F)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is BUZDJYPYZYSCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-17(2,3)14-7-5-12(6-8-14)16(19-4)13-9-15(18)11-20-10-13/h5-11,16,19H,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 115805098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).