N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine

C13H19BrN2O — CID 102813550

IUPACN-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine
SMILESCN(c1cc(Br)cc(CN)c1)C1CCOCC1
InChIInChI=1S/C13H19BrN2O/c1-16(12-2-4-17-5-3-12)13-7-10(9-15)6-11(14)8-13/h6-8,12H,2-5,9,15H2,1H3
InChIKeyMZPPKHMUJCZOKP-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.52
Rot. Bonds3

About N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine

N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine (PubChem CID 102813550) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine
PubChem CID102813550
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine
SMILESCN(c1cc(Br)cc(CN)c1)C1CCOCC1
InChIInChI=1S/C13H19BrN2O/c1-16(12-2-4-17-5-3-12)13-7-10(9-15)6-11(14)8-13/h6-8,12H,2-5,9,15H2,1H3
InChIKeyMZPPKHMUJCZOKP-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 102813478
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CID 102814030
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 114364238
3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 102813782
3-[3-(aminomethyl)-5-bromo-N-cyclobutylanilino]propan-1-ol
CID 102859668
2-[3-(aminomethyl)-5-bromo-N-methylanilino]-N,N-dimethylacetamide
CID 102813441
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 102814033
ethyl 5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
CID 90273001
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
CID 115774207
5-bromo-3-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 103580325
N-(3-fluoro-5-iodophenyl)-N-methyloxan-4-amine
CID 146173494

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine?
The IUPAC name of N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine (CID 102813550) is N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine is CN(c1cc(Br)cc(CN)c1)C1CCOCC1.
What is the InChIKey of N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine?
The InChIKey is MZPPKHMUJCZOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(12-2-4-17-5-3-12)13-7-10(9-15)6-11(14)8-13/h6-8,12H,2-5,9,15H2,1H3.
What are the key properties of N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine?
N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine has a molecular weight of 299.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine is sourced from PubChem (CID 102813550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).