3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine

C22H25N3O — CID 122574262

IUPAC3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine
SMILESCc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1
InChIInChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3
InChIKeyFQRONRPRMDEQNS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.24
Rot. Bonds8

About 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine

3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine (PubChem CID 122574262) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine
PubChem CID122574262
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine
SMILESCc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1
InChIInChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3
InChIKeyFQRONRPRMDEQNS-UHFFFAOYSA-N
XLogP4.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
US10155760, Example 15
CID 118420229
US10155760, Example 49
CID 118420369
US10155760, Example 50
CID 118429668
US10155760, Example 35
CID 118429827
US10155760, Example 48
CID 118429888
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]benzonitrile
CID 20744801
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine (CID 122574262) is 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine is Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine?
The InChIKey is FQRONRPRMDEQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine?
3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine has a molecular weight of 347.46 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-(dipyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 122574262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).