3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine

C13H19BrN2O — CID 63335444

IUPAC3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1cccc(Br)c1)C1(CN)CCOC1
InChIInChI=1S/C13H19BrN2O/c1-16(13(9-15)5-6-17-10-13)8-11-3-2-4-12(14)7-11/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeyCZZDCXXXMYWQMH-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.00
Rot. Bonds4

About 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine

3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine (PubChem CID 63335444) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
PubChem CID63335444
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1cccc(Br)c1)C1(CN)CCOC1
InChIInChI=1S/C13H19BrN2O/c1-16(13(9-15)5-6-17-10-13)8-11-3-2-4-12(14)7-11/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeyCZZDCXXXMYWQMH-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415233
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82717967
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 106821849
4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
CID 65079215
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63470621
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
CID 63335335
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]oxolan-3-amine
CID 63335610
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine (CID 63335444) is 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine is CN(Cc1cccc(Br)c1)C1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine?
The InChIKey is CZZDCXXXMYWQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(13(9-15)5-6-17-10-13)8-11-3-2-4-12(14)7-11/h2-4,7H,5-6,8-10,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine?
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine has a molecular weight of 299.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 63335444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).