2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine

C16H19FN2 — CID 64770702

IUPAC2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H19FN2/c1-11-4-5-12(10-19-11)15(18)16(2,3)13-6-8-14(17)9-7-13/h4-10,15H,18H2,1-3H3
InChIKeyLPBSBUXWLNJHJK-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine

2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine (PubChem CID 64770702) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
PubChem CID64770702
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C16H19FN2/c1-11-4-5-12(10-19-11)15(18)16(2,3)13-6-8-14(17)9-7-13/h4-10,15H,18H2,1-3H3
InChIKeyLPBSBUXWLNJHJK-UHFFFAOYSA-N
XLogP3.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine (CID 64770702) is 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine is Cc1ccc(C(N)C(C)(C)c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is LPBSBUXWLNJHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-4-5-12(10-19-11)15(18)16(2,3)13-6-8-14(17)9-7-13/h4-10,15H,18H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine?
2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 258.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 64770702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).