6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine

C22H25FN4O — CID 71769669

IUPAC6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COCc2cccc(CNCCc3cccc(F)c3)n2)c1
InChIInChI=1S/C22H25FN4O/c1-16-10-21(27-22(24)11-16)15-28-14-20-7-3-6-19(26-20)13-25-9-8-17-4-2-5-18(23)12-17/h2-7,10-12,25H,8-9,13-15H2,1H3,(H2,24,27)
InChIKeyPOLQSSNOIIBSPT-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.56
Rot. Bonds9

About 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine

6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine (PubChem CID 71769669) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine
PubChem CID71769669
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COCc2cccc(CNCCc3cccc(F)c3)n2)c1
InChIInChI=1S/C22H25FN4O/c1-16-10-21(27-22(24)11-16)15-28-14-20-7-3-6-19(26-20)13-25-9-8-17-4-2-5-18(23)12-17/h2-7,10-12,25H,8-9,13-15H2,1H3,(H2,24,27)
InChIKeyPOLQSSNOIIBSPT-UHFFFAOYSA-N
XLogP3.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953
6-[2-(3-fluorophenyl)ethyl]-4-methylpyridin-2-amine;methane
CID 145078015
2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60697544
7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
CID 72771077
2-[(3R,4R)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxy-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 67337694
6-[2-[3-fluoro-5-[3-(methylaminomethyl)phenyl]phenyl]ethyl]-4-methylpyridin-2-amine
CID 134686798
3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647165
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908714
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750
6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine
CID 176515337
6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904632
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine (CID 71769669) is 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(COCc2cccc(CNCCc3cccc(F)c3)n2)c1.
What is the InChIKey of 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine?
The InChIKey is POLQSSNOIIBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-16-10-21(27-22(24)11-16)15-28-14-20-7-3-6-19(26-20)13-25-9-8-17-4-2-5-18(23)12-17/h2-7,10-12,25H,8-9,13-15H2,1H3,(H2,24,27).
What are the key properties of 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine?
6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine has a molecular weight of 380.47 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]methoxymethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 71769669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).