[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine

C14H21BrN2O — CID 62461292

IUPAC[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
SMILESCN(Cc1cccc(Br)c1)CC1CCC(CN)O1
InChIInChI=1S/C14H21BrN2O/c1-17(9-11-3-2-4-12(15)7-11)10-14-6-5-13(8-16)18-14/h2-4,7,13-14H,5-6,8-10,16H2,1H3
InChIKeyIFPGQMUILJQJNV-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.39
Rot. Bonds5

About [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine

[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine (PubChem CID 62461292) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
PubChem CID62461292
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
SMILESCN(Cc1cccc(Br)c1)CC1CCC(CN)O1
InChIInChI=1S/C14H21BrN2O/c1-17(9-11-3-2-4-12(15)7-11)10-14-6-5-13(8-16)18-14/h2-4,7,13-14H,5-6,8-10,16H2,1H3
InChIKeyIFPGQMUILJQJNV-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine with MolForge

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Related Compounds

1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 62421915
[5-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62436799
1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 61416171
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62462333
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517

Frequently Asked Questions

What is the IUPAC name of [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine (CID 62461292) is [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine is CN(Cc1cccc(Br)c1)CC1CCC(CN)O1.
What is the InChIKey of [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine?
The InChIKey is IFPGQMUILJQJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17(9-11-3-2-4-12(15)7-11)10-14-6-5-13(8-16)18-14/h2-4,7,13-14H,5-6,8-10,16H2,1H3.
What are the key properties of [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine?
[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine has a molecular weight of 313.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62461292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).