1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine

C15H23BrN2O — CID 62462715

IUPAC1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN(C)Cc2cccc(Br)c2)O1
InChIInChI=1S/C15H23BrN2O/c1-17-9-14-6-7-15(19-14)11-18(2)10-12-4-3-5-13(16)8-12/h3-5,8,14-15,17H,6-7,9-11H2,1-2H3
InChIKeyGEYQNSCNVBHQNQ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.65
Rot. Bonds6

About 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine

1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine (PubChem CID 62462715) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
PubChem CID62462715
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN(C)Cc2cccc(Br)c2)O1
InChIInChI=1S/C15H23BrN2O/c1-17-9-14-6-7-15(19-14)11-18(2)10-12-4-3-5-13(16)8-12/h3-5,8,14-15,17H,6-7,9-11H2,1-2H3
InChIKeyGEYQNSCNVBHQNQ-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62461292
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62413491
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62419753
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55074213
1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 61416171
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62436939

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine (CID 62462715) is 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine is CNCC1CCC(CN(C)Cc2cccc(Br)c2)O1.
What is the InChIKey of 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine?
The InChIKey is GEYQNSCNVBHQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-9-14-6-7-15(19-14)11-18(2)10-12-4-3-5-13(16)8-12/h3-5,8,14-15,17H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine?
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine has a molecular weight of 327.27 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62462715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).