1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine

C19H24N2O2 — CID 97319653

IUPAC1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1cccc(CN(Cc2ccccn2)C[C@H]2CCOCO2)c1
InChIInChI=1S/C19H24N2O2/c1-16-5-4-6-17(11-16)12-21(13-18-7-2-3-9-20-18)14-19-8-10-22-15-23-19/h2-7,9,11,19H,8,10,12-15H2,1H3/t19-/m1/s1
InChIKeyIUGVFFLPSQACGU-LJQANCHMSA-N
MW312.41 g/mol
LogP3.16
Rot. Bonds6

About 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine

1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 97319653) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID97319653
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCc1cccc(CN(Cc2ccccn2)C[C@H]2CCOCO2)c1
InChIInChI=1S/C19H24N2O2/c1-16-5-4-6-17(11-16)12-21(13-18-7-2-3-9-20-18)14-19-8-10-22-15-23-19/h2-7,9,11,19H,8,10,12-15H2,1H3/t19-/m1/s1
InChIKeyIUGVFFLPSQACGU-LJQANCHMSA-N
XLogP3.16
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 97319653) is 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine is Cc1cccc(CN(Cc2ccccn2)C[C@H]2CCOCO2)c1.
What is the InChIKey of 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is IUGVFFLPSQACGU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-16-5-4-6-17(11-16)12-21(13-18-7-2-3-9-20-18)14-19-8-10-22-15-23-19/h2-7,9,11,19H,8,10,12-15H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 312.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1,3-dioxan-4-yl]-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 97319653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).