3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine

C19H24FN3O — CID 46995114

IUPAC3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C19H24FN3O/c1-21-19-16(4-2-10-22-19)13-23(14-18-5-3-11-24-18)12-15-6-8-17(20)9-7-15/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,21,22)
InChIKeyMHJQMXJOXMBKCJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.44
Rot. Bonds7

About 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine

3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine (PubChem CID 46995114) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
PubChem CID46995114
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C19H24FN3O/c1-21-19-16(4-2-10-22-19)13-23(14-18-5-3-11-24-18)12-15-6-8-17(20)9-7-15/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,21,22)
InChIKeyMHJQMXJOXMBKCJ-UHFFFAOYSA-N
XLogP3.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine (CID 46995114) is 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine?
The InChIKey is MHJQMXJOXMBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-21-19-16(4-2-10-22-19)13-23(14-18-5-3-11-24-18)12-15-6-8-17(20)9-7-15/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,21,22).
What are the key properties of 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine?
3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine has a molecular weight of 329.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 46995114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).