5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine

C19H24BrN3O — CID 133345750

IUPAC5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
SMILESCC(NC1(CNc2ccc(Br)cn2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H24BrN3O/c1-15(16-5-3-2-4-6-16)23-19(9-11-24-12-10-19)14-22-18-8-7-17(20)13-21-18/h2-8,13,15,23H,9-12,14H2,1H3,(H,21,22)
InChIKeyRBGLIZMVOSLXNS-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.16
Rot. Bonds6

About 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine

5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine (PubChem CID 133345750) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
PubChem CID133345750
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
SMILESCC(NC1(CNc2ccc(Br)cn2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H24BrN3O/c1-15(16-5-3-2-4-6-16)23-19(9-11-24-12-10-19)14-22-18-8-7-17(20)13-21-18/h2-8,13,15,23H,9-12,14H2,1H3,(H,21,22)
InChIKeyRBGLIZMVOSLXNS-UHFFFAOYSA-N
XLogP4.16
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine
CID 97089026
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96539984
2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460771
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-2H-triazole-4-carboxamide
CID 96539972
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75463886
2-methyl-1-[(2-methylphenyl)methyl]-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111831193
4-acetyl-2-[[4-(1-phenylethylamino)oxan-4-yl]methylamino]benzonitrile
CID 133458105
5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine
CID 130610275
2-methyl-1-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-3-prop-2-enylguanidine
CID 111826452
N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540062

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine (CID 133345750) is 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine is CC(NC1(CNc2ccc(Br)cn2)CCOCC1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine?
The InChIKey is RBGLIZMVOSLXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-15(16-5-3-2-4-6-16)23-19(9-11-24-12-10-19)14-22-18-8-7-17(20)13-21-18/h2-8,13,15,23H,9-12,14H2,1H3,(H,21,22).
What are the key properties of 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine?
5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine has a molecular weight of 390.33 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 133345750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).