4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol

C15H23BrN2O2 — CID 114948515

IUPAC4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(CN)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-18(11-15(19)5-7-20-8-6-15)14(10-17)12-3-2-4-13(16)9-12/h2-4,9,14,19H,5-8,10-11,17H2,1H3
InChIKeyPZPIJOLQSGRZGK-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.92
Rot. Bonds5

About 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol

4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114948515) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol
PubChem CID114948515
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(CN)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-18(11-15(19)5-7-20-8-6-15)14(10-17)12-3-2-4-13(16)9-12/h2-4,9,14,19H,5-8,10-11,17H2,1H3
InChIKeyPZPIJOLQSGRZGK-UHFFFAOYSA-N
XLogP1.92
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
CID 114948371
4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948505
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]oxan-4-ol
CID 114948472
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453
2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631647
1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948239
4-[[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]methyl]oxan-4-ol
CID 114948452
1-[[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948208
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
CID 116911764
5-bromo-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949754

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol (CID 114948515) is 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)C(CN)c1cccc(Br)c1.
What is the InChIKey of 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is PZPIJOLQSGRZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-18(11-15(19)5-7-20-8-6-15)14(10-17)12-3-2-4-13(16)9-12/h2-4,9,14,19H,5-8,10-11,17H2,1H3.
What are the key properties of 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol?
4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 343.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).